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

C11H24N2O2S — CID 106125438

IUPACN-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C11H24N2O2S/c1-9(2)5-6-16(14,15)13-8-10-3-4-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3
InChIKeyNCTNTYKBERTEIO-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds6

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

N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide (PubChem CID 106125438) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
PubChem CID106125438
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C11H24N2O2S/c1-9(2)5-6-16(14,15)13-8-10-3-4-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3
InChIKeyNCTNTYKBERTEIO-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126062
N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126251
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide (CID 106125438) is N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCC1CCC(N)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide?
The InChIKey is NCTNTYKBERTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)5-6-16(14,15)13-8-10-3-4-11(12)7-10/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide?
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.08, 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]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 106125438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).