N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide

C12H20N2O2S2 — CID 71787099

IUPACN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-9-14-7-4-11(5-8-14)12-3-2-10-17-12/h2-3,10-11,13H,4-9H2,1H3
InChIKeyXUJHBGZMKCDOCZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide

N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 71787099) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID71787099
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-9-14-7-4-11(5-8-14)12-3-2-10-17-12/h2-3,10-11,13H,4-9H2,1H3
InChIKeyXUJHBGZMKCDOCZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 19095574
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CID 3236587
CID 3236587
CID 5310439
CID 5310439
CID 3240176
CID 3240176
CID 47087743
CID 47087743
CID 71787066
CID 71787066
CID 71787100
CID 71787100
CID 71787117
CID 71787117
CID 71787122
CID 71787122
CID 71989832
CID 71989832
CID 72858030
CID 72858030
CID 118744754
CID 118744754

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide (CID 71787099) is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is XUJHBGZMKCDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-9-14-7-4-11(5-8-14)12-3-2-10-17-12/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71787099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).