N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C10H16Cl2N2S — CID 120839502

IUPACN-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1sccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-13(8-2-4-12-6-8)7-10-9(11)3-5-14-10;/h3,5,8,12H,2,4,6-7H2,1H3;1H
InChIKeyHWONGIGOJUZZIV-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.62
Rot. Bonds3

About N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120839502) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120839502
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC NameN-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1sccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-13(8-2-4-12-6-8)7-10-9(11)3-5-14-10;/h3,5,8,12H,2,4,6-7H2,1H3;1H
InChIKeyHWONGIGOJUZZIV-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922766
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
3-[(3-chlorothiophen-2-yl)methyl]piperidine
CID 130534670
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 120839502) is N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(Cc1sccc1Cl)C1CCNC1.Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is HWONGIGOJUZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-13(8-2-4-12-6-8)7-10-9(11)3-5-14-10;/h3,5,8,12H,2,4,6-7H2,1H3;1H.
What are the key properties of N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 267.22 g/mol, XLogP of 2.62, 3 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)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120839502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).