2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide

C13H18N4O2S2 — CID 106069710

IUPAC2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-20-12(6-15-10-2-3-10)13(9)21(18,19)17-5-11-4-14-8-16-11/h4,7-8,10,15,17H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyOBSTWNRFMBHPSE-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.51
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106069710) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106069710
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-20-12(6-15-10-2-3-10)13(9)21(18,19)17-5-11-4-14-8-16-11/h4,7-8,10,15,17H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyOBSTWNRFMBHPSE-UHFFFAOYSA-N
XLogP1.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[2-[N-(1H-imidazol-5-ylmethyl)anilino]ethyl]thiophene-2-sulfonamide
CID 44416169
(1H-imidazol-4-ylmethyl)isobutyl[(3-methyl-2-thienyl)methyl]amine
CID 46985577
N-((4-phenyl-1H-imidazol-2-yl)methyl)thiophene-2-sulfonamide
CID 71801274
(3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5,6,7-tetrahydro-2H-1,4-benzodiazepine-7-carbonitrile
CID 68215393
(Z)-4-[(3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfinyl-3,5-dihydro-2H-1,4-diazepin-7-yl]-2-methylidenebut-3-enenitrile;ethane
CID 143378638
3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5,5a,6-tetrahydro-2H-1,4-benzodiazepine
CID 152479061
(5S)-5-[4-(1H-imidazol-5-yl)thiophen-2-yl]-2-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 156570542
(1R)-N-tert-butylsulfanyl-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethanamine
CID 169197710
(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169199174
N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170165583
tert-butyl-[1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethylamino]-oxidosulfanium
CID 174107371
3-methylsulfonyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 43651681

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide (CID 106069710) is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)NCc1cnc[nH]1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is OBSTWNRFMBHPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-7-20-12(6-15-10-2-3-10)13(9)21(18,19)17-5-11-4-14-8-16-11/h4,7-8,10,15,17H,2-3,5-6H2,1H3,(H,14,16).
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106069710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).