4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide

C11H21N3O4S — CID 94124307

IUPAC4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCOC2)CC1
InChIInChI=1S/C11H21N3O4S/c1-19(16,17)14-5-3-13(4-6-14)11(15)12-8-10-2-7-18-9-10/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyZZAQVGMAVKJFJW-JTQLQIEISA-N
MW291.37 g/mol
LogP-0.69
Rot. Bonds3

About 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide

4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 94124307) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
PubChem CID94124307
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCOC2)CC1
InChIInChI=1S/C11H21N3O4S/c1-19(16,17)14-5-3-13(4-6-14)11(15)12-8-10-2-7-18-9-10/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyZZAQVGMAVKJFJW-JTQLQIEISA-N
XLogP-0.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 47128013
1-(1-Methylsulfonylpiperidin-4-yl)-3-(oxolan-3-ylmethyl)urea
CID 47247545
1-Ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
CID 51084116
1-Cyclopropyl-3-[3-[methyl(methylsulfonyl)amino]propyl]-1-(oxolan-3-ylmethyl)urea
CID 51084756
4-methylsulfonyl-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53500655
2-(methanesulfonamidomethyl)-N-(oxolan-3-ylmethyl)piperidine-1-carboxamide
CID 53517117
2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55133714
1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94049866
1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94049867
1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 94049887
1-(1-methylsulfonylpiperidin-4-yl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94049888
4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124308

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide (CID 94124307) is 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCOC2)CC1.
What is the InChIKey of 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ZZAQVGMAVKJFJW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-19(16,17)14-5-3-13(4-6-14)11(15)12-8-10-2-7-18-9-10/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide?
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 94124307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).