3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine

C16H32N2O2S — CID 105011176

IUPAC3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCN(S(C)(=O)=O)C1)C(C)C1CC1
InChIInChI=1S/C16H32N2O2S/c1-4-9-17-16(13(2)15-7-8-15)11-14-6-5-10-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3
InChIKeySMSRQWGIUHVPNT-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.46
Rot. Bonds8

About 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine

3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine (PubChem CID 105011176) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
PubChem CID105011176
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCN(S(C)(=O)=O)C1)C(C)C1CC1
InChIInChI=1S/C16H32N2O2S/c1-4-9-17-16(13(2)15-7-8-15)11-14-6-5-10-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3
InChIKeySMSRQWGIUHVPNT-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 79612455
N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105166939
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine (CID 105011176) is 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine is CCCNC(CC1CCCN(S(C)(=O)=O)C1)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine?
The InChIKey is SMSRQWGIUHVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-9-17-16(13(2)15-7-8-15)11-14-6-5-10-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine?
3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine has a molecular weight of 316.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105011176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).