N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

C15H31N3O2S — CID 62561653

IUPACN-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESCS(=O)(=O)CCNCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-21(19,20)14-8-16-7-13-17-11-5-15(6-12-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3
InChIKeyXWQQFABULNTGTG-UHFFFAOYSA-N
MW317.50 g/mol
LogP0.57
Rot. Bonds7

About N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (PubChem CID 62561653) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
PubChem CID62561653
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESCS(=O)(=O)CCNCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-21(19,20)14-8-16-7-13-17-11-5-15(6-12-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3
InChIKeyXWQQFABULNTGTG-UHFFFAOYSA-N
XLogP0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
4-(Piperidin-4-YL)thiomorpholine 1,1-dioxide dihydrochloride
CID 71758395
2-(Piperidin-3-yl)-1lambda6,2-thiazinane-1,1-dione
CID 83821944
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 86794900
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
N-[(2S)-1-(azepan-1-yl)propan-2-yl]-1-(1,1-dioxothian-4-yl)piperidin-4-amine
CID 171358913
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (CID 62561653) is N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is CS(=O)(=O)CCNCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The InChIKey is XWQQFABULNTGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-21(19,20)14-8-16-7-13-17-11-5-15(6-12-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine has a molecular weight of 317.50 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62561653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).