N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine

C9H12ClNS2 — CID 131089862

IUPACN-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
SMILESClc1cscc1CNC1CCSC1
InChIInChI=1S/C9H12ClNS2/c10-9-6-13-4-7(9)3-11-8-1-2-12-5-8/h4,6,8,11H,1-3,5H2
InChIKeyGQIMICYVTDBCIJ-UHFFFAOYSA-N
MW233.79 g/mol
LogP3.00
Rot. Bonds3

About N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine

N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine (PubChem CID 131089862) has the molecular formula C9H12ClNS2 and a molecular weight of 233.79 g/mol. Its IUPAC name is N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
PubChem CID131089862
Molecular FormulaC9H12ClNS2
Molecular Weight233.79 g/mol
Exact Mass233.01
IUPAC NameN-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
SMILESClc1cscc1CNC1CCSC1
InChIInChI=1S/C9H12ClNS2/c10-9-6-13-4-7(9)3-11-8-1-2-12-5-8/h4,6,8,11H,1-3,5H2
InChIKeyGQIMICYVTDBCIJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
CID 126997872
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
CID 63830032
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
N-[(2,4,5-trimethoxyphenyl)methyl]thiolan-3-amine
CID 103603314
N-[(2-bromo-4-methylphenyl)methyl]thiolan-3-amine
CID 103845115
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
2-[(thian-3-ylamino)methyl]phenol
CID 115676061

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine (CID 131089862) is N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine is Clc1cscc1CNC1CCSC1.
What is the InChIKey of N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine?
The InChIKey is GQIMICYVTDBCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS2/c10-9-6-13-4-7(9)3-11-8-1-2-12-5-8/h4,6,8,11H,1-3,5H2.
What are the key properties of N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine?
N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine has a molecular weight of 233.79 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 131089862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).