N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide

C14H26N2O4S — CID 94174849

IUPACN-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-15(10-12-6-9-20-11-12)14(17)13-4-7-16(8-5-13)21(2,18)19/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyLCWZZGRGWWJDMH-GFCCVEGCSA-N
MW318.44 g/mol
LogP0.54
Rot. Bonds5

About N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide

N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 94174849) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
PubChem CID94174849
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
SMILESCCN(C[C@H]1CCOC1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H26N2O4S/c1-3-15(10-12-6-9-20-11-12)14(17)13-4-7-16(8-5-13)21(2,18)19/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyLCWZZGRGWWJDMH-GFCCVEGCSA-N
XLogP0.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
CID 94174845
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 61012248
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 95294699
N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-(oxolan-3-ylmethyl)piperidine-3-carboxamide
CID 55745040
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 94025427
6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950820
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
2-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569649
3-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid
CID 62820513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide (CID 94174849) is N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide is CCN(C[C@H]1CCOC1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is LCWZZGRGWWJDMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-15(10-12-6-9-20-11-12)14(17)13-4-7-16(8-5-13)21(2,18)19/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide?
N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94174849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).