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

C13H19N3OS2 — CID 170165583

IUPACN-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=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-HSLMEMBISA-N
MW297.45 g/mol
LogP3.25
Rot. Bonds4

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

N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170165583) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170165583
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC NameN-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=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-HSLMEMBISA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 170165583) is N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1cc(-c2cnc[nH]2)cs1.
What is the InChIKey of N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BDVSGONQDNRUSJ-HSLMEMBISA-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 N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
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 N-[(1R)-1-[4-(1H-imidazol-5-yl)thiophen-2-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170165583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).