5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide

C14H23BrN2O2S2 — CID 106630942

IUPAC5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C14H23BrN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-14(15)20-11(13)3/h7,10,12,16H,4-6,8-9H2,1-3H3
InChIKeyYDVGFTUDGCUVNL-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide

5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 106630942) has the molecular formula C14H23BrN2O2S2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID106630942
Molecular FormulaC14H23BrN2O2S2
Molecular Weight395.39 g/mol
Exact Mass394.04
IUPAC Name5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C14H23BrN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-14(15)20-11(13)3/h7,10,12,16H,4-6,8-9H2,1-3H3
InChIKeyYDVGFTUDGCUVNL-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide (CID 106630942) is 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)N(CC1CCCNC1)C(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is YDVGFTUDGCUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S2/c1-10(2)17(9-12-5-4-6-16-8-12)21(18,19)13-7-14(15)20-11(13)3/h7,10,12,16H,4-6,8-9H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide?
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 395.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106630942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).