3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide

C13H28N2O2S — CID 106066791

IUPAC3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-4-11(2)10-12(3)15-18(16,17)9-5-8-14-13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyZZEXSRBVXLFYBC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds10

About 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide (PubChem CID 106066791) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
PubChem CID106066791
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H28N2O2S/c1-4-11(2)10-12(3)15-18(16,17)9-5-8-14-13-6-7-13/h11-15H,4-10H2,1-3H3
InChIKeyZZEXSRBVXLFYBC-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
CID 106068345
2-(cyclopropylamino)-N-[1-(diethylamino)propan-2-yl]ethanesulfonamide
CID 106052209
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568
N-(4-methylhexyl)cyclopropanamine
CID 62529631
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
CID 106004399
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide (CID 106066791) is 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide is CCC(C)CC(C)NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide?
The InChIKey is ZZEXSRBVXLFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-11(2)10-12(3)15-18(16,17)9-5-8-14-13-6-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106066791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).