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

C10H22N2O2S — CID 11601106

IUPACN-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCC(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
InChIKeyDKBMUILSFHLRMS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.83
Rot. Bonds6

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

N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide (PubChem CID 11601106) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide
PubChem CID11601106
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCC(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
InChIKeyDKBMUILSFHLRMS-UHFFFAOYSA-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-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide (CID 11601106) is N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CCC(N)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide?
The InChIKey is DKBMUILSFHLRMS-UHFFFAOYSA-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.
What are the key properties of N-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide?
N-[(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-[(3-aminocyclopentyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 11601106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).