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

C10H22N2O2S — CID 11694338

IUPACN-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H22N2O2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8,11H2,1H3/t9-,10+/m0/s1
InChIKeyDKBMUILSFHLRMS-VHSXEESVSA-N
MW234.36 g/mol
LogP0.83
Rot. Bonds6

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

N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide (PubChem CID 11694338) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide
PubChem CID11694338
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H22N2O2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8,11H2,1H3/t9-,10+/m0/s1
InChIKeyDKBMUILSFHLRMS-VHSXEESVSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.83
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]butane-1-sulfonamide?
The IUPAC name of N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide (CID 11694338) is N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@H]1CC[C@@H](N)C1.
What is the InChIKey of N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide?
The InChIKey is DKBMUILSFHLRMS-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8,11H2,1H3/t9-,10+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide?
N-[[(1S,3R)-3-aminocyclopentyl]methyl]butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.83, 6 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]butane-1-sulfonamide is sourced from PubChem (CID 11694338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).