1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine

C16H24ClNOS — CID 66146011

IUPAC1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)CSc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNOS/c1-18-14(6-3-7-15-8-4-10-19-15)12-20-16-9-2-5-13(17)11-16/h2,5,9,11,14-15,18H,3-4,6-8,10,12H2,1H3
InChIKeyMFGRARVOECKMRY-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.37
Rot. Bonds8

About 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine

1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 66146011) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID66146011
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCNC(CCCC1CCCO1)CSc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNOS/c1-18-14(6-3-7-15-8-4-10-19-15)12-20-16-9-2-5-13(17)11-16/h2,5,9,11,14-15,18H,3-4,6-8,10,12H2,1H3
InChIKeyMFGRARVOECKMRY-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
CID 66147924
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683
1-(4-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164563
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine (CID 66146011) is 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine is CNC(CCCC1CCCO1)CSc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is MFGRARVOECKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-18-14(6-3-7-15-8-4-10-19-15)12-20-16-9-2-5-13(17)11-16/h2,5,9,11,14-15,18H,3-4,6-8,10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 313.89 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 66146011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).