2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine

C15H31NO2S — CID 106730330

IUPAC2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)CNCC(C)(CCS(=O)(=O)C(C)C)C1CC1
InChIInChI=1S/C15H31NO2S/c1-12(2)10-16-11-15(5,14-6-7-14)8-9-19(17,18)13(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyMPAVHQCAYUAUDK-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.86
Rot. Bonds9

About 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106730330) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106730330
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)CNCC(C)(CCS(=O)(=O)C(C)C)C1CC1
InChIInChI=1S/C15H31NO2S/c1-12(2)10-16-11-15(5,14-6-7-14)8-9-19(17,18)13(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyMPAVHQCAYUAUDK-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730333
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034089
N,2-diethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729966
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 83160355
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780
N-tert-butyl-2-cyclopropyl-2,5-dimethylhexan-1-amine
CID 83160438

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine (CID 106730330) is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine is CC(C)CNCC(C)(CCS(=O)(=O)C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is MPAVHQCAYUAUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-12(2)10-16-11-15(5,14-6-7-14)8-9-19(17,18)13(3)4/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine?
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106730330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).