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

C9H12ClNOS — CID 126997872

IUPACN-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
SMILESClc1cscc1CNC1CCOC1
InChIInChI=1S/C9H12ClNOS/c10-9-6-13-5-7(9)3-11-8-1-2-12-4-8/h5-6,8,11H,1-4H2
InChIKeyGFLKHZDWBXLCFT-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.28
Rot. Bonds3

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

N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine (PubChem CID 126997872) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
PubChem CID126997872
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC NameN-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
SMILESClc1cscc1CNC1CCOC1
InChIInChI=1S/C9H12ClNOS/c10-9-6-13-5-7(9)3-11-8-1-2-12-4-8/h5-6,8,11H,1-4H2
InChIKeyGFLKHZDWBXLCFT-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(4-chlorothiophen-3-yl)methyl]thiolan-3-amine
CID 131089862
N-[(2-chloro-4-nitrophenyl)methyl]oxolan-3-amine
CID 80713830
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
CID 63335644
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 115757871
N-(1H-pyrrol-2-ylmethyl)oxolan-3-amine
CID 80716810

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine (CID 126997872) is N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine is Clc1cscc1CNC1CCOC1.
What is the InChIKey of N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine?
The InChIKey is GFLKHZDWBXLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-9-6-13-5-7(9)3-11-8-1-2-12-4-8/h5-6,8,11H,1-4H2.
What are the key properties of N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine?
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine has a molecular weight of 217.72 g/mol, XLogP of 2.28, 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]oxolan-3-amine is sourced from PubChem (CID 126997872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).