N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H31N3O3S — CID 6941835

IUPACN-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1CCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyNTDSVURDGHNGRU-KBPBESRZSA-N
MW345.51 g/mol
LogP1.04
Rot. Bonds5

About N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 6941835) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID6941835
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1CCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyNTDSVURDGHNGRU-KBPBESRZSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 4690278
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3294768
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 6941835) is N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is C[C@H]1CCC[C@H](C)N1CCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NTDSVURDGHNGRU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-13-5-4-6-14(2)19(13)12-9-17-16(20)15-7-10-18(11-8-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6941835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).