N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide

C13H24N2O4S — CID 94097831

IUPACN-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O4S/c1-20(17,18)15-8-6-11(7-9-15)14-13(16)5-4-12-3-2-10-19-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyRHUDSOGHVCPNRC-LBPRGKRZSA-N
MW304.41 g/mol
LogP0.49
Rot. Bonds5

About N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide

N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 94097831) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID94097831
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O4S/c1-20(17,18)15-8-6-11(7-9-15)14-13(16)5-4-12-3-2-10-19-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyRHUDSOGHVCPNRC-LBPRGKRZSA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 65163671
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 91812794
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide (CID 94097831) is N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide is CS(=O)(=O)N1CCC(NC(=O)CC[C@@H]2CCCO2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is RHUDSOGHVCPNRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(17,18)15-8-6-11(7-9-15)14-13(16)5-4-12-3-2-10-19-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide?
N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 304.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94097831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).