2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride

C15H26ClN3O2S — CID 128973446

IUPAC2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCCS(=O)(=O)CCN(Cc1cccnc1)CC1CCNC1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-2-21(19,20)9-8-18(13-15-5-7-17-11-15)12-14-4-3-6-16-10-14;/h3-4,6,10,15,17H,2,5,7-9,11-13H2,1H3;1H
InChIKeyTYTLUMJSGKSHLC-UHFFFAOYSA-N
MW347.91 g/mol
LogP1.35
Rot. Bonds8

About 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride

2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 128973446) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID128973446
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCCS(=O)(=O)CCN(Cc1cccnc1)CC1CCNC1.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-2-21(19,20)9-8-18(13-15-5-7-17-11-15)12-14-4-3-6-16-10-14;/h3-4,6,10,15,17H,2,5,7-9,11-13H2,1H3;1H
InChIKeyTYTLUMJSGKSHLC-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339021
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 167832608
N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129333059
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride (CID 128973446) is 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride is CCS(=O)(=O)CCN(Cc1cccnc1)CC1CCNC1.Cl.
What is the InChIKey of 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is TYTLUMJSGKSHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-2-21(19,20)9-8-18(13-15-5-7-17-11-15)12-14-4-3-6-16-10-14;/h3-4,6,10,15,17H,2,5,7-9,11-13H2,1H3;1H.
What are the key properties of 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride?
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 128973446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).