1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine

C18H30ClNS — CID 66146019

IUPAC1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
SMILESCCCCCCCC(CSc1cccc(Cl)c1)NCCC
InChIInChI=1S/C18H30ClNS/c1-3-5-6-7-8-11-17(20-13-4-2)15-21-18-12-9-10-16(19)14-18/h9-10,12,14,17,20H,3-8,11,13,15H2,1-2H3
InChIKeyCEFKXSWTHGXKCV-UHFFFAOYSA-N
MW327.96 g/mol
LogP6.16
Rot. Bonds12

About 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine

1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine (PubChem CID 66146019) has the molecular formula C18H30ClNS and a molecular weight of 327.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
PubChem CID66146019
Molecular FormulaC18H30ClNS
Molecular Weight327.96 g/mol
Exact Mass327.18
IUPAC Name1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
SMILESCCCCCCCC(CSc1cccc(Cl)c1)NCCC
InChIInChI=1S/C18H30ClNS/c1-3-5-6-7-8-11-17(20-13-4-2)15-21-18-12-9-10-16(19)14-18/h9-10,12,14,17,20H,3-8,11,13,15H2,1-2H3
InChIKeyCEFKXSWTHGXKCV-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.96
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
CID 66147486
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine (CID 66146019) is 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine is CCCCCCCC(CSc1cccc(Cl)c1)NCCC.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine?
The InChIKey is CEFKXSWTHGXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNS/c1-3-5-6-7-8-11-17(20-13-4-2)15-21-18-12-9-10-16(19)14-18/h9-10,12,14,17,20H,3-8,11,13,15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine?
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine has a molecular weight of 327.96 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine is sourced from PubChem (CID 66146019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).