4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine

C14H29NOS — CID 64657617

IUPAC4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)C1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-4-9-15-13(3)8-10-17(16)14-7-5-6-12(2)11-14/h12-15H,4-11H2,1-3H3
InChIKeyZFXZTRRKBCFRFZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.09
Rot. Bonds7

About 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine

4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine (PubChem CID 64657617) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
PubChem CID64657617
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)C1CCCC(C)C1
InChIInChI=1S/C14H29NOS/c1-4-9-15-13(3)8-10-17(16)14-7-5-6-12(2)11-14/h12-15H,4-11H2,1-3H3
InChIKeyZFXZTRRKBCFRFZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfinyl-N-propylpropan-2-amine
CID 64654364
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
1-(3-methylcyclohexyl)sulfinylpentan-2-one
CID 64635690
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
2-acetamido-3-(3-methylcyclohexyl)sulfinylpropanoic acid
CID 64583533
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
3-cyclohexylsulfinyl-N-propylheptan-4-amine
CID 64654358
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
3-(3-methylcyclohexyl)sulfinylbutan-2-amine
CID 64657610

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine (CID 64657617) is 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine is CCCNC(C)CCS(=O)C1CCCC(C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine?
The InChIKey is ZFXZTRRKBCFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-9-15-13(3)8-10-17(16)14-7-5-6-12(2)11-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine?
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine has a molecular weight of 259.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64657617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).