1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine

C15H22ClNOS — CID 66142608

IUPAC1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
SMILESCNC(CSc1ccc(Cl)cc1)CC1CCOCC1
InChIInChI=1S/C15H22ClNOS/c1-17-14(10-12-6-8-18-9-7-12)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,17H,6-11H2,1H3
InChIKeyMTHVVDXBTAWAGP-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine

1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 66142608) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
PubChem CID66142608
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
SMILESCNC(CSc1ccc(Cl)cc1)CC1CCOCC1
InChIInChI=1S/C15H22ClNOS/c1-17-14(10-12-6-8-18-9-7-12)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,17H,6-11H2,1H3
InChIKeyMTHVVDXBTAWAGP-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
1-(4-chlorophenyl)sulfanyl-N-methyl-4-methylsulfonylbutan-2-amine
CID 66143966
1-(4-chlorophenyl)sulfanyl-N,5-dimethylhex-5-en-2-amine
CID 114475112
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine (CID 66142608) is 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine is CNC(CSc1ccc(Cl)cc1)CC1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is MTHVVDXBTAWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-17-14(10-12-6-8-18-9-7-12)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,17H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 299.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 66142608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).