N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide

C17H31N3O3S — CID 119727534

IUPACN-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)18-8-7-16-4-2-3-9-20(16)17(21)12-13-10-14-5-6-15(11-13)19-14/h13-16,18-19H,2-12H2,1H3
InChIKeyRLPNOMKKHBPNEG-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 119727534) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID119727534
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O3S/c1-24(22,23)18-8-7-16-4-2-3-9-20(16)17(21)12-13-10-14-5-6-15(11-13)19-14/h13-16,18-19H,2-12H2,1H3
InChIKeyRLPNOMKKHBPNEG-UHFFFAOYSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
CID 119822367
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
N-[2-[1-[2-(azetidin-3-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 116676659
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 119727534) is N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is RLPNOMKKHBPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-24(22,23)18-8-7-16-4-2-3-9-20(16)17(21)12-13-10-14-5-6-15(11-13)19-14/h13-16,18-19H,2-12H2,1H3.
What are the key properties of N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 357.52 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 119727534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).