N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C12H18N2O3S2 — CID 43073336

IUPACN-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)13-8-11-4-2-3-6-14(11)12(15)10-5-7-18-9-10/h5,7,9,11,13H,2-4,6,8H2,1H3
InChIKeyRPGMHGFGWXSCEA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.29
Rot. Bonds4

About N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073336) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073336
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)13-8-11-4-2-3-6-14(11)12(15)10-5-7-18-9-10/h5,7,9,11,13H,2-4,6,8H2,1H3
InChIKeyRPGMHGFGWXSCEA-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 43073336) is N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)c1ccsc1.
What is the InChIKey of N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is RPGMHGFGWXSCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-19(16,17)13-8-11-4-2-3-6-14(11)12(15)10-5-7-18-9-10/h5,7,9,11,13H,2-4,6,8H2,1H3.
What are the key properties of N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).