5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

C13H21BrN2O2S2 — CID 106607862

IUPAC5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCN2)C(C)C)sc1Br
InChIInChI=1S/C13H21BrN2O2S2/c1-9(2)16(8-11-5-4-6-15-11)20(17,18)12-7-10(3)13(14)19-12/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyKPJFSCXFJQOEMX-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.97
Rot. Bonds5

About 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106607862) has the molecular formula C13H21BrN2O2S2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106607862
Molecular FormulaC13H21BrN2O2S2
Molecular Weight381.36 g/mol
Exact Mass380.02
IUPAC Name5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CCCN2)C(C)C)sc1Br
InChIInChI=1S/C13H21BrN2O2S2/c1-9(2)16(8-11-5-4-6-15-11)20(17,18)12-7-10(3)13(14)19-12/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyKPJFSCXFJQOEMX-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607691
3-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 79987516
1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (CID 106607862) is 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(CC2CCCN2)C(C)C)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is KPJFSCXFJQOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S2/c1-9(2)16(8-11-5-4-6-15-11)20(17,18)12-7-10(3)13(14)19-12/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 381.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106607862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).