4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide

C16H34N2O2S — CID 79488295

IUPAC4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C16H34N2O2S/c1-5-16(6-2)18(13-14(3)4)21(19,20)12-8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3
InChIKeyNXXZCUNECVFJRA-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.99
Rot. Bonds12

About 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide

4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide (PubChem CID 79488295) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
PubChem CID79488295
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C16H34N2O2S/c1-5-16(6-2)18(13-14(3)4)21(19,20)12-8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3
InChIKeyNXXZCUNECVFJRA-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide
CID 79488638
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
3-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylpropanamide
CID 79491004
1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
CID 79488883
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide (CID 79488295) is 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide?
The InChIKey is NXXZCUNECVFJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-5-16(6-2)18(13-14(3)4)21(19,20)12-8-7-11-17-15-9-10-15/h14-17H,5-13H2,1-4H3.
What are the key properties of 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide?
4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide has a molecular weight of 318.53 g/mol, XLogP of 2.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 79488295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).