N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine

C13H18ClNS — CID 43694783

IUPACN-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCSC1
InChIInChI=1S/C13H18ClNS/c1-10(15-13-5-6-16-9-13)7-11-3-2-4-12(14)8-11/h2-4,8,10,13,15H,5-7,9H2,1H3
InChIKeyZVTKFKGZNIECMJ-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine

N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine (PubChem CID 43694783) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
PubChem CID43694783
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCSC1
InChIInChI=1S/C13H18ClNS/c1-10(15-13-5-6-16-9-13)7-11-3-2-4-12(14)8-11/h2-4,8,10,13,15H,5-7,9H2,1H3
InChIKeyZVTKFKGZNIECMJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propan-2-yl]thiolan-3-amine
CID 115713987
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine (CID 43694783) is N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine is CC(Cc1cccc(Cl)c1)NC1CCSC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine?
The InChIKey is ZVTKFKGZNIECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-10(15-13-5-6-16-9-13)7-11-3-2-4-12(14)8-11/h2-4,8,10,13,15H,5-7,9H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine?
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine has a molecular weight of 255.81 g/mol, XLogP of 3.37, 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)propan-2-yl]thiolan-3-amine is sourced from PubChem (CID 43694783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).