4-amino-N,N-dibutylthiophene-2-sulfonamide

C12H22N2O2S2 — CID 61301508

IUPAC4-amino-N,N-dibutylthiophene-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H22N2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)12-9-11(13)10-17-12/h9-10H,3-8,13H2,1-2H3
InChIKeyRLWPHYUOYRTZPE-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.92
Rot. Bonds8

About 4-amino-N,N-dibutylthiophene-2-sulfonamide

4-amino-N,N-dibutylthiophene-2-sulfonamide (PubChem CID 61301508) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-N,N-dibutylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dibutylthiophene-2-sulfonamide
PubChem CID61301508
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name4-amino-N,N-dibutylthiophene-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H22N2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)12-9-11(13)10-17-12/h9-10H,3-8,13H2,1-2H3
InChIKeyRLWPHYUOYRTZPE-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792
4-amino-N,N-bis(2-methoxyethyl)thiophene-2-sulfonamide
CID 61300165
4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide
CID 61299610
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 61300939
4-amino-N-(cyclopropylmethyl)-N-ethylthiophene-2-sulfonamide
CID 63955111
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61299968
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61300173
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N,N-dibutylthiophene-2-sulfonamide (CID 61301508) is 4-amino-N,N-dibutylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N,N-dibutylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N,N-dibutylthiophene-2-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N,N-dibutylthiophene-2-sulfonamide?
The InChIKey is RLWPHYUOYRTZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)12-9-11(13)10-17-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-amino-N,N-dibutylthiophene-2-sulfonamide?
4-amino-N,N-dibutylthiophene-2-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutylthiophene-2-sulfonamide is sourced from PubChem (CID 61301508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).