5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 16887547

IUPAC5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-14-5-6-15(20-14)21(18,19)16-11-13-7-9-17(10-8-13)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyYWJKPCLMKBQEGM-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.71
Rot. Bonds6

About 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 16887547) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID16887547
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-4-14-5-6-15(20-14)21(18,19)16-11-13-7-9-17(10-8-13)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3
InChIKeyYWJKPCLMKBQEGM-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5-ethylthiophene-2-sulfonamide
CID 121108373
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 60857110
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 16887547) is 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)s1.
What is the InChIKey of 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YWJKPCLMKBQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-14-5-6-15(20-14)21(18,19)16-11-13-7-9-17(10-8-13)12(2)3/h5-6,12-13,16H,4,7-11H2,1-3H3.
What are the key properties of 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16887547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).