N-[1-(3-chlorophenyl)propyl]thian-3-amine

C14H20ClNS — CID 62873445

IUPACN-[1-(3-chlorophenyl)propyl]thian-3-amine
SMILESCCC(NC1CCCSC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNS/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-17-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyLAXLXSRZOAFFNS-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]thian-3-amine

N-[1-(3-chlorophenyl)propyl]thian-3-amine (PubChem CID 62873445) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]thian-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]thian-3-amine
PubChem CID62873445
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[1-(3-chlorophenyl)propyl]thian-3-amine
SMILESCCC(NC1CCCSC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNS/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-17-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3
InChIKeyLAXLXSRZOAFFNS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
CID 55151786
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]thian-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]thian-3-amine (CID 62873445) is N-[1-(3-chlorophenyl)propyl]thian-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]thian-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]thian-3-amine is CCC(NC1CCCSC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]thian-3-amine?
The InChIKey is LAXLXSRZOAFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-2-14(11-5-3-6-12(15)9-11)16-13-7-4-8-17-10-13/h3,5-6,9,13-14,16H,2,4,7-8,10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]thian-3-amine?
N-[1-(3-chlorophenyl)propyl]thian-3-amine has a molecular weight of 269.84 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]thian-3-amine is sourced from PubChem (CID 62873445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).