N-[1-(4-chlorophenyl)butyl]thiolan-3-amine

C14H20ClNS — CID 103902650

IUPACN-[1-(4-chlorophenyl)butyl]thiolan-3-amine
SMILESCCCC(NC1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyWYGSUXHVTJLEDK-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.28
Rot. Bonds5

About N-[1-(4-chlorophenyl)butyl]thiolan-3-amine

N-[1-(4-chlorophenyl)butyl]thiolan-3-amine (PubChem CID 103902650) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]thiolan-3-amine
PubChem CID103902650
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[1-(4-chlorophenyl)butyl]thiolan-3-amine
SMILESCCCC(NC1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3
InChIKeyWYGSUXHVTJLEDK-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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
3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
CID 43751031
N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
CID 64909731
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131528
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
N-[1-(4-chlorophenyl)butyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43101797
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]thiolan-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]thiolan-3-amine (CID 103902650) is N-[1-(4-chlorophenyl)butyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]thiolan-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]thiolan-3-amine is CCCC(NC1CCSC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]thiolan-3-amine?
The InChIKey is WYGSUXHVTJLEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-7,13-14,16H,2-3,8-10H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]thiolan-3-amine?
N-[1-(4-chlorophenyl)butyl]thiolan-3-amine has a molecular weight of 269.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]thiolan-3-amine is sourced from PubChem (CID 103902650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).