N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide

C7H17N2O2S+ — CID 7175799

IUPACN-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-3-2-4-8-5-7/h7-9H,2-6H2,1H3/p+1/t7-/m1/s1
InChIKeyITCJEUVIMIGZIY-SSDOTTSWSA-O
MW193.29 g/mol
LogP-1.49
Rot. Bonds3

About N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide

N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide (PubChem CID 7175799) has the molecular formula C7H17N2O2S+ and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide
PubChem CID7175799
Molecular FormulaC7H17N2O2S+
Molecular Weight193.29 g/mol
Exact Mass193.10
IUPAC NameN-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-3-2-4-8-5-7/h7-9H,2-6H2,1H3/p+1/t7-/m1/s1
InChIKeyITCJEUVIMIGZIY-SSDOTTSWSA-O
XLogP-1.49
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-ium-3-sulfonamide
CID 140917583
N-[(3-chlorocyclopentyl)methyl]methanesulfonamide
CID 106135282
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide (CID 7175799) is N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCC[NH2+]C1.
What is the InChIKey of N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide?
The InChIKey is ITCJEUVIMIGZIY-SSDOTTSWSA-O. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-3-2-4-8-5-7/h7-9H,2-6H2,1H3/p+1/t7-/m1/s1.
What are the key properties of N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide?
N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide has a molecular weight of 193.29 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 7175799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).