3-cyclohexylsulfinyl-N-propylheptan-4-amine

C16H33NOS — CID 64654358

IUPAC3-cyclohexylsulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)C1CCCCC1
InChIInChI=1S/C16H33NOS/c1-4-10-15(17-13-5-2)16(6-3)19(18)14-11-8-7-9-12-14/h14-17H,4-13H2,1-3H3
InChIKeyGCEZPIRRSXPPCD-UHFFFAOYSA-N
MW287.51 g/mol
LogP4.01
Rot. Bonds9

About 3-cyclohexylsulfinyl-N-propylheptan-4-amine

3-cyclohexylsulfinyl-N-propylheptan-4-amine (PubChem CID 64654358) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 3-cyclohexylsulfinyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-cyclohexylsulfinyl-N-propylheptan-4-amine
PubChem CID64654358
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name3-cyclohexylsulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)C1CCCCC1
InChIInChI=1S/C16H33NOS/c1-4-10-15(17-13-5-2)16(6-3)19(18)14-11-8-7-9-12-14/h14-17H,4-13H2,1-3H3
InChIKeyGCEZPIRRSXPPCD-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfinyl-N-propylpropan-2-amine
CID 64654364
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
CID 63470267
3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine
CID 104689447
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
CID 115842226
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfinyl-N-propylheptan-4-amine?
The IUPAC name of 3-cyclohexylsulfinyl-N-propylheptan-4-amine (CID 64654358) is 3-cyclohexylsulfinyl-N-propylheptan-4-amine.
What is the SMILES notation for 3-cyclohexylsulfinyl-N-propylheptan-4-amine?
The canonical SMILES for 3-cyclohexylsulfinyl-N-propylheptan-4-amine is CCCNC(CCC)C(CC)S(=O)C1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfinyl-N-propylheptan-4-amine?
The InChIKey is GCEZPIRRSXPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-4-10-15(17-13-5-2)16(6-3)19(18)14-11-8-7-9-12-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 3-cyclohexylsulfinyl-N-propylheptan-4-amine?
3-cyclohexylsulfinyl-N-propylheptan-4-amine has a molecular weight of 287.51 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfinyl-N-propylheptan-4-amine is sourced from PubChem (CID 64654358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).