N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine

C9H13ClN2S — CID 115118693

IUPACN-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
SMILESCN(c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C9H13ClN2S/c1-12(7-4-5-11-6-7)9-3-2-8(10)13-9/h2-3,7,11H,4-6H2,1H3
InChIKeyQJUOEGCNVUHNEJ-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.20
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine

N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine (PubChem CID 115118693) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
PubChem CID115118693
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC NameN-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
SMILESCN(c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C9H13ClN2S/c1-12(7-4-5-11-6-7)9-3-2-8(10)13-9/h2-3,7,11H,4-6H2,1H3
InChIKeyQJUOEGCNVUHNEJ-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
CID 117040547
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine
CID 83910004
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120839502
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
CID 70892352

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine (CID 115118693) is N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine is CN(c1ccc(Cl)s1)C1CCNC1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is QJUOEGCNVUHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-12(7-4-5-11-6-7)9-3-2-8(10)13-9/h2-3,7,11H,4-6H2,1H3.
What are the key properties of N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine?
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 216.74 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).