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

C14H19N5O4S — CID 75529380

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H19N5O4S/c1-24(22,23)17-11-5-10(13(20)14(11)21)7-19-8-12(16-18-19)9-3-2-4-15-6-9/h2-4,6,8,10-11,13-14,17,20-21H,5,7H2,1H3/t10-,11-,13-,14+/m1/s1
InChIKeyDULAMFBWFWBSJQ-OXHZDVMGSA-N
MW353.40 g/mol
LogP-1.00
Rot. Bonds5

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

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide (PubChem CID 75529380) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide
PubChem CID75529380
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H19N5O4S/c1-24(22,23)17-11-5-10(13(20)14(11)21)7-19-8-12(16-18-19)9-3-2-4-15-6-9/h2-4,6,8,10-11,13-14,17,20-21H,5,7H2,1H3/t10-,11-,13-,14+/m1/s1
InChIKeyDULAMFBWFWBSJQ-OXHZDVMGSA-N
XLogP-1.00
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide (CID 75529380) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is DULAMFBWFWBSJQ-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-24(22,23)17-11-5-10(13(20)14(11)21)7-19-8-12(16-18-19)9-3-2-4-15-6-9/h2-4,6,8,10-11,13-14,17,20-21H,5,7H2,1H3/t10-,11-,13-,14+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 353.40 g/mol, XLogP of -1.00, 5 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-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 75529380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).