(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide

C13H19N3OS2 — CID 169199174

IUPAC(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(-c2cnc[nH]2)cs1
InChIInChI=1S/C13H19N3OS2/c1-9(16-19(17)13(2,3)4)12-5-10(7-18-12)11-6-14-8-15-11/h5-9,16H,1-4H3,(H,14,15)/t9-,19-/m1/s1
InChIKeyBDVSGONQDNRUSJ-AYLIAGHASA-N
MW297.45 g/mol
LogP3.25
Rot. Bonds4

About (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169199174) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169199174
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(-c2cnc[nH]2)cs1
InChIInChI=1S/C13H19N3OS2/c1-9(16-19(17)13(2,3)4)12-5-10(7-18-12)11-6-14-8-15-11/h5-9,16H,1-4H3,(H,14,15)/t9-,19-/m1/s1
InChIKeyBDVSGONQDNRUSJ-AYLIAGHASA-N
XLogP3.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide 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

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961031
4-[(thiophen-2-yl)methyl]-1H-imidazole hydrochloride
CID 49861211
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
CID 14660411
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
CID 19961030

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169199174) is (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(-c2cnc[nH]2)cs1.
What is the InChIKey of (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BDVSGONQDNRUSJ-AYLIAGHASA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-9(16-19(17)13(2,3)4)12-5-10(7-18-12)11-6-14-8-15-11/h5-9,16H,1-4H3,(H,14,15)/t9-,19-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 297.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169199174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).