N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide

C11H20N4O5S — CID 75529382

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide
SMILESCOCc1cn(C[C@H]2C[C@@H](NS(C)(=O)=O)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C11H20N4O5S/c1-20-6-8-5-15(14-12-8)4-7-3-9(11(17)10(7)16)13-21(2,18)19/h5,7,9-11,13,16-17H,3-4,6H2,1-2H3/t7-,9-,10-,11+/m1/s1
InChIKeyWPAYHOIPAJDWSU-WKJUBOCMSA-N
MW320.37 g/mol
LogP-1.92
Rot. Bonds6

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide (PubChem CID 75529382) has the molecular formula C11H20N4O5S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide
PubChem CID75529382
Molecular FormulaC11H20N4O5S
Molecular Weight320.37 g/mol
Exact Mass320.12
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide
SMILESCOCc1cn(C[C@H]2C[C@@H](NS(C)(=O)=O)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C11H20N4O5S/c1-20-6-8-5-15(14-12-8)4-7-3-9(11(17)10(7)16)13-21(2,18)19/h5,7,9-11,13,16-17H,3-4,6H2,1-2H3/t7-,9-,10-,11+/m1/s1
InChIKeyWPAYHOIPAJDWSU-WKJUBOCMSA-N
XLogP-1.92
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793126
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride
CID 146117845
3-(1,3-benzodioxol-4-ylmethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793173
1-[(1R,2S,3R,4R)-4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-3-phenylurea;hydrochloride
CID 146117889
1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
CID 123822821
N-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-1,3-benzothiazole-2-carboxamide
CID 162855613
(3R,4R,6R)-N-cyclopropyl-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide
CID 11942230
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]urea
CID 163084128
[(3R,4S,6R)-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-yl]-pyrrolidin-1-ylmethanone
CID 11943160
(3R,6R)-N-[(4-fluorophenyl)methyl]-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 44716081
(3R,4R,6R)-N-[(4-fluorophenyl)methyl]-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11942331
N-[(1R,2S,3R,4R)-4-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]pyrimidine-5-carboxamide;trihydrochloride
CID 146117766

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide (CID 75529382) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide is COCc1cn(C[C@H]2C[C@@H](NS(C)(=O)=O)[C@H](O)[C@@H]2O)nn1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide?
The InChIKey is WPAYHOIPAJDWSU-WKJUBOCMSA-N. The full InChI is InChI=1S/C11H20N4O5S/c1-20-6-8-5-15(14-12-8)4-7-3-9(11(17)10(7)16)13-21(2,18)19/h5,7,9-11,13,16-17H,3-4,6H2,1-2H3/t7-,9-,10-,11+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide has a molecular weight of 320.37 g/mol, XLogP of -1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 75529382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).