N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide

C12H24N2O2S — CID 54972331

IUPACN-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-10(12-5-6-12)14(2)17(15,16)9-11-4-3-7-13-8-11/h10-13H,3-9H2,1-2H3
InChIKeyHCHQBXPLSMMQKI-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.05
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide

N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972331) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972331
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-10(12-5-6-12)14(2)17(15,16)9-11-4-3-7-13-8-11/h10-13H,3-9H2,1-2H3
InChIKeyHCHQBXPLSMMQKI-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide (CID 54972331) is N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide is CC(C1CC1)N(C)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is HCHQBXPLSMMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(12-5-6-12)14(2)17(15,16)9-11-4-3-7-13-8-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide?
N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).