2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol

C8H15N3OS — CID 64819737

IUPAC2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCn1ccnc1SCC(C)(N)CO
InChIInChI=1S/C8H15N3OS/c1-8(9,5-12)6-13-7-10-3-4-11(7)2/h3-4,12H,5-6,9H2,1-2H3
InChIKeyLYPNTHLSYGIYEG-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.22
Rot. Bonds4

About 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol

2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol (PubChem CID 64819737) has the molecular formula C8H15N3OS and a molecular weight of 201.30 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
PubChem CID64819737
Molecular FormulaC8H15N3OS
Molecular Weight201.30 g/mol
Exact Mass201.09
IUPAC Name2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCn1ccnc1SCC(C)(N)CO
InChIInChI=1S/C8H15N3OS/c1-8(9,5-12)6-13-7-10-3-4-11(7)2/h3-4,12H,5-6,9H2,1-2H3
InChIKeyLYPNTHLSYGIYEG-UHFFFAOYSA-N
XLogP0.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
methyl 2,2-dimethyl-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 79622717
2-tert-butylsulfanyl-1-methylimidazole
CID 10261609
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
CID 64820866
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64621169
trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
CID 63702614
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
hydrazinyl 3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 66339169

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol (CID 64819737) is 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol is Cn1ccnc1SCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The InChIKey is LYPNTHLSYGIYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-8(9,5-12)6-13-7-10-3-4-11(7)2/h3-4,12H,5-6,9H2,1-2H3.
What are the key properties of 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol has a molecular weight of 201.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64819737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).