(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine

C13H21N3OS — CID 128966063

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC1CCSC1
InChIInChI=1S/C13H21N3OS/c1-2-16-6-5-14-13(16)12-11(3-7-17-12)15-10-4-8-18-9-10/h5-6,10-12,15H,2-4,7-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyMPHPFZDZVJYMLL-RAMGSTBQSA-N
MW267.40 g/mol
LogP1.83
Rot. Bonds4

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine (PubChem CID 128966063) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
PubChem CID128966063
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC1CCSC1
InChIInChI=1S/C13H21N3OS/c1-2-16-6-5-14-13(16)12-11(3-7-17-12)15-10-4-8-18-9-10/h5-6,10-12,15H,2-4,7-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyMPHPFZDZVJYMLL-RAMGSTBQSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[3-(4-fluorophenyl)cyclobutyl]oxan-3-amine
CID 129001362
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
CID 128970916
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 167864411
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 128986192
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine (CID 128966063) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine is CCn1ccnc1[C@H]1OCC[C@@H]1NC1CCSC1.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine?
The InChIKey is MPHPFZDZVJYMLL-RAMGSTBQSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-16-6-5-14-13(16)12-11(3-7-17-12)15-10-4-8-18-9-10/h5-6,10-12,15H,2-4,7-9H2,1H3/t10?,11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine has a molecular weight of 267.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(thiolan-3-yl)oxolan-3-amine is sourced from PubChem (CID 128966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).