4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine

C14H22ClNOS — CID 2581205

IUPAC4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine
SMILESCOCCCNCCCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-17-11-4-10-16-9-2-3-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3
InChIKeyAZGMNIZEDJYOTG-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.84
Rot. Bonds10

About 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine

4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine (PubChem CID 2581205) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine
PubChem CID2581205
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine
SMILESCOCCCNCCCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-17-11-4-10-16-9-2-3-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3
InChIKeyAZGMNIZEDJYOTG-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
Ethanamine, 2-((4-chlorophenyl)thio)-N,N-diethyl-, hydrochloride (1:1)
CID 26170
3-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 2207240
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
4-[(4-chlorophenyl)thio]-N-(2-methoxyethyl)-1-butanamine
CID 2299797
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 2272096
2-((4-chlorophenyl)thio)-N-isobutylacetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
N-allyl-2-[(4-chlorophenyl)thio]propanamide
CID 2889882
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807
(4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate
CID 2726160

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine (CID 2581205) is 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine is COCCCNCCCCSc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine?
The InChIKey is AZGMNIZEDJYOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-17-11-4-10-16-9-2-3-12-18-14-7-5-13(15)6-8-14/h5-8,16H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine?
4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine has a molecular weight of 287.86 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)butan-1-amine is sourced from PubChem (CID 2581205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).