3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine

C11H15ClN2S — CID 65384870

IUPAC3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
SMILESNCC1(Nc2cccc(Cl)c2)CCSC1
InChIInChI=1S/C11H15ClN2S/c12-9-2-1-3-10(6-9)14-11(7-13)4-5-15-8-11/h1-3,6,14H,4-5,7-8,13H2
InChIKeyDSNBJUIORWDYRQ-UHFFFAOYSA-N
MW242.78 g/mol
LogP2.59
Rot. Bonds3

About 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine

3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine (PubChem CID 65384870) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
PubChem CID65384870
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
SMILESNCC1(Nc2cccc(Cl)c2)CCSC1
InChIInChI=1S/C11H15ClN2S/c12-9-2-1-3-10(6-9)14-11(7-13)4-5-15-8-11/h1-3,6,14H,4-5,7-8,13H2
InChIKeyDSNBJUIORWDYRQ-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)thiolan-3-amine
CID 107619641
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
4-(aminomethyl)-N-(3-bromophenyl)thian-4-amine
CID 65378527
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
3-(3-chloroanilino)-4,4-dimethylthiane-3-carboxamide
CID 79948144
3-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]thian-3-amine
CID 116699251
4-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]thian-4-amine
CID 116699276
4-(aminomethyl)-N-(3-chlorophenyl)-2-propan-2-yloxan-4-amine
CID 65384648
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine (CID 65384870) is 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine is NCC1(Nc2cccc(Cl)c2)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine?
The InChIKey is DSNBJUIORWDYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-9-2-1-3-10(6-9)14-11(7-13)4-5-15-8-11/h1-3,6,14H,4-5,7-8,13H2.
What are the key properties of 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine?
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine has a molecular weight of 242.78 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine is sourced from PubChem (CID 65384870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).