2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide

C15H26N2O2S2 — CID 90522711

IUPAC2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCCGLKYADHALFHS-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.50
Rot. Bonds7

About 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide

2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 90522711) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
PubChem CID90522711
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3
InChIKeyCCGLKYADHALFHS-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
1-phenyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47087743
N-{2-[4-(Thiophen-2-YL)piperidin-1-YL]ethyl}cyclopropanesulfonamide
CID 71787100
N-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71787117
N-{2-[4-(Thiophen-2-YL)piperidin-1-YL]ethyl}-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71787122
N-(2-methyl-3-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 71989832
(3R*,4S*)-1-[(5-ethyl-2-thienyl)sulfonyl]-4-propylpyrrolidin-3-amine
CID 72858030
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 16887719
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)ethanesulfonamide
CID 16806591
5-methyl-N-{[1-(propan-2-yl)piperidin-4-yl]methyl}thiophene-2-sulfonamide
CID 16887552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide (CID 90522711) is 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is CCGLKYADHALFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-13(2)12-21(18,19)16-7-10-17-8-5-14(6-9-17)15-4-3-11-20-15/h3-4,11,13-14,16H,5-10,12H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide?
2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90522711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).