1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine

C14H20ClNS — CID 107131528

IUPAC1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeySDBXYTADLBFRBJ-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine

1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 107131528) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID107131528
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeySDBXYTADLBFRBJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107166601
1-(4-chlorophenyl)-N-(1,4-dithian-2-ylmethyl)propan-1-amine
CID 115727444
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
N-[1-(4-chlorophenyl)butyl]thiolan-3-amine
CID 103902650
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131508
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-methylsulfonylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165823
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine (CID 107131528) is 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine is CCC(NCC1CCSC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is SDBXYTADLBFRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-6,11,14,16H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine?
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 107131528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).