N-(1-propanoylpiperidin-3-yl)methanesulfonamide

C9H18N2O3S — CID 47180684

IUPACN-(1-propanoylpiperidin-3-yl)methanesulfonamide
SMILESCCC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-9(12)11-6-4-5-8(7-11)10-15(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyKKRXYIAKNUZOPG-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.06
Rot. Bonds3

About N-(1-propanoylpiperidin-3-yl)methanesulfonamide

N-(1-propanoylpiperidin-3-yl)methanesulfonamide (PubChem CID 47180684) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-propanoylpiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-propanoylpiperidin-3-yl)methanesulfonamide
PubChem CID47180684
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(1-propanoylpiperidin-3-yl)methanesulfonamide
SMILESCCC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-9(12)11-6-4-5-8(7-11)10-15(2,13)14/h8,10H,3-7H2,1-2H3
InChIKeyKKRXYIAKNUZOPG-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylpiperidin-3-yl)methanesulfonamide?
The IUPAC name of N-(1-propanoylpiperidin-3-yl)methanesulfonamide (CID 47180684) is N-(1-propanoylpiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-propanoylpiperidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-propanoylpiperidin-3-yl)methanesulfonamide is CCC(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-(1-propanoylpiperidin-3-yl)methanesulfonamide?
The InChIKey is KKRXYIAKNUZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-9(12)11-6-4-5-8(7-11)10-15(2,13)14/h8,10H,3-7H2,1-2H3.
What are the key properties of N-(1-propanoylpiperidin-3-yl)methanesulfonamide?
N-(1-propanoylpiperidin-3-yl)methanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylpiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 47180684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).