N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

C8H17NO5S2 — CID 82843046

IUPACN-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C8H17NO5S2/c1-15(11,12)6-16(13,14)9-5-7-3-2-4-8(7)10/h7-10H,2-6H2,1H3
InChIKeyQPLSXANEEXUFAO-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.93
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide

N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82843046) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82843046
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C8H17NO5S2/c1-15(11,12)6-16(13,14)9-5-7-3-2-4-8(7)10/h7-10H,2-6H2,1H3
InChIKeyQPLSXANEEXUFAO-UHFFFAOYSA-N
XLogP-0.93
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82843297
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide (CID 82843046) is N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is QPLSXANEEXUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-15(11,12)6-16(13,14)9-5-7-3-2-4-8(7)10/h7-10H,2-6H2,1H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide?
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 271.36 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82843046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).