(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol

C13H17N3OS2 — CID 129403532

IUPAC(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol
SMILESO[C@]1(CN[C@H](c2ncc[nH]2)c2cccs2)CCSC1
InChIInChI=1S/C13H17N3OS2/c17-13(3-7-18-9-13)8-16-11(10-2-1-6-19-10)12-14-4-5-15-12/h1-2,4-6,11,16-17H,3,7-9H2,(H,14,15)/t11-,13-/m0/s1
InChIKeyBZYSRCYOXYHHHB-AAEUAGOBSA-N
MW295.43 g/mol
LogP2.02
Rot. Bonds5

About (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol

(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol (PubChem CID 129403532) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol
PubChem CID129403532
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol
SMILESO[C@]1(CN[C@H](c2ncc[nH]2)c2cccs2)CCSC1
InChIInChI=1S/C13H17N3OS2/c17-13(3-7-18-9-13)8-16-11(10-2-1-6-19-10)12-14-4-5-15-12/h1-2,4-6,11,16-17H,3,7-9H2,(H,14,15)/t11-,13-/m0/s1
InChIKeyBZYSRCYOXYHHHB-AAEUAGOBSA-N
XLogP2.02
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol with MolForge

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Related Compounds

(1S)-N-[(5-chloro-2-methylphenyl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 99843227
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 126778149
1-[[(3R)-3-hydroxythiolan-3-yl]methyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087400
N-[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-5-piperidin-1-ylpyridin-2-amine
CID 124628135
3-[[[(2-methylphenyl)-phenylmethyl]amino]methyl]thiolan-3-ol
CID 110011011
(2S,5R)-5-[[[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 124829892
N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine
CID 129403573
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
CID 126769914
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol
CID 106099922
2-(1H-imidazol-2-yl)-1-thiophen-2-ylethanol
CID 22324780
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol?
The IUPAC name of (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol (CID 129403532) is (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol.
What is the SMILES notation for (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol?
The canonical SMILES for (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol is O[C@]1(CN[C@H](c2ncc[nH]2)c2cccs2)CCSC1.
What is the InChIKey of (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol?
The InChIKey is BZYSRCYOXYHHHB-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H17N3OS2/c17-13(3-7-18-9-13)8-16-11(10-2-1-6-19-10)12-14-4-5-15-12/h1-2,4-6,11,16-17H,3,7-9H2,(H,14,15)/t11-,13-/m0/s1.
What are the key properties of (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol?
(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol has a molecular weight of 295.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol is sourced from PubChem (CID 129403532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).