(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide

C14H27N3O3S — CID 124831536

IUPAC(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyUTEBLFAJAZHTCT-CHWSQXEVSA-N
MW317.46 g/mol
LogP0.40
Rot. Bonds5

About (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 124831536) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID124831536
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyUTEBLFAJAZHTCT-CHWSQXEVSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
(2R)-1-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124748947
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 124831536) is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide is CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is UTEBLFAJAZHTCT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-16-9-6-7-12(16)11-15-14(18)13-8-4-5-10-17(13)21(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 124831536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).