N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C14H30N2O2S — CID 114552097

IUPACN-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-12(2)15-9-5-6-10-19(17,18)16-13-7-8-14(3,4)11-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyVLKNHSVRIIVJOH-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.26
Rot. Bonds8

About N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 114552097) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID114552097
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-12(2)15-9-5-6-10-19(17,18)16-13-7-8-14(3,4)11-13/h12-13,15-16H,5-11H2,1-4H3
InChIKeyVLKNHSVRIIVJOH-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 114546434
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
CID 114550633
3-(propan-2-ylamino)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 103063616
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 114552097) is N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is VLKNHSVRIIVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-12(2)15-9-5-6-10-19(17,18)16-13-7-8-14(3,4)11-13/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 114552097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).