3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide

C9H18N2O3S — CID 104982434

IUPAC3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
SMILESCS(=O)(=O)CCC(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)6-4-9(12)11-8-3-2-5-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyDNLVFTMQKGZAJZ-QMMMGPOBSA-N
MW234.32 g/mol
LogP-0.71
Rot. Bonds4

About 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide

3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide (PubChem CID 104982434) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
PubChem CID104982434
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
SMILESCS(=O)(=O)CCC(=O)N[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)6-4-9(12)11-8-3-2-5-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyDNLVFTMQKGZAJZ-QMMMGPOBSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
N-piperidin-3-ylpropanamide
CID 3520588
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119424560
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylsulfonylpropanamide
CID 54896101

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide (CID 104982434) is 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide is CS(=O)(=O)CCC(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide?
The InChIKey is DNLVFTMQKGZAJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)6-4-9(12)11-8-3-2-5-10-7-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide?
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide is sourced from PubChem (CID 104982434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).