N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide

C12H20N2O2S2 — CID 94197160

IUPACN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESC[C@H]1CCCCN1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-11-5-2-3-8-14(11)9-7-13-18(15,16)12-6-4-10-17-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3/t11-/m0/s1
InChIKeyMYYFNELHNQGUSS-NSHDSACASA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds5

About N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 94197160) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID94197160
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESC[C@H]1CCCCN1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-11-5-2-3-8-14(11)9-7-13-18(15,16)12-6-4-10-17-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3/t11-/m0/s1
InChIKeyMYYFNELHNQGUSS-NSHDSACASA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 47206387
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide
CID 124853404
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 95058242
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 91629003
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
N-[2-[2-(2-hydroxy-2-thiophen-2-ylethyl)azepan-1-yl]ethyl]methanesulfonamide
CID 111858472

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide (CID 94197160) is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide is C[C@H]1CCCCN1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is MYYFNELHNQGUSS-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-11-5-2-3-8-14(11)9-7-13-18(15,16)12-6-4-10-17-12/h4,6,10-11,13H,2-3,5,7-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 94197160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).