N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine

C11H16ClNS2 — CID 107360038

IUPACN-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CCCS1
InChIInChI=1S/C11H16ClNS2/c1-2-13-10(9-4-3-6-14-9)11-8(12)5-7-15-11/h5,7,9-10,13H,2-4,6H2,1H3
InChIKeySSHIGNSNFFNQGJ-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 107360038) has the molecular formula C11H16ClNS2 and a molecular weight of 261.84 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID107360038
Molecular FormulaC11H16ClNS2
Molecular Weight261.84 g/mol
Exact Mass261.04
IUPAC NameN-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CCCS1
InChIInChI=1S/C11H16ClNS2/c1-2-13-10(9-4-3-6-14-9)11-8(12)5-7-15-11/h5,7,9-10,13H,2-4,6H2,1H3
InChIKeySSHIGNSNFFNQGJ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
CID 107360102
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
N-[thiolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80626863

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine (CID 107360038) is N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1sccc1Cl)C1CCCS1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is SSHIGNSNFFNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS2/c1-2-13-10(9-4-3-6-14-9)11-8(12)5-7-15-11/h5,7,9-10,13H,2-4,6H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 261.84 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 107360038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).