N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide

C7H16N2O2S — CID 11616482

IUPACN-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyMDBDWYULIJGFSE-NKWVEPMBSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds3

About N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide

N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide (PubChem CID 11616482) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide
PubChem CID11616482
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyMDBDWYULIJGFSE-NKWVEPMBSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide (CID 11616482) is N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CC[C@@H](N)C1.
What is the InChIKey of N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide?
The InChIKey is MDBDWYULIJGFSE-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide?
N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-aminocyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 11616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).