4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide

C13H28N2O2S — CID 114142377

IUPAC4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)8-10-15-18(16,17)11-5-4-9-14-12-6-7-12/h12,14-15H,4-11H2,1-3H3
InChIKeyFGJHRYWMXPWPMG-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds9

About 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide (PubChem CID 114142377) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
PubChem CID114142377
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-13(2,3)8-10-15-18(16,17)11-5-4-9-14-12-6-7-12/h12,14-15H,4-11H2,1-3H3
InChIKeyFGJHRYWMXPWPMG-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.87
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

4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide (CID 114142377) is 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide is CC(C)(C)CCNS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
The InChIKey is FGJHRYWMXPWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2,3)8-10-15-18(16,17)11-5-4-9-14-12-6-7-12/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide is sourced from PubChem (CID 114142377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).