3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol

C10H19N3OS — CID 107783953

IUPAC3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1ncc[nH]1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)8(11)7(6-14)15-9-12-4-5-13-9/h4-5,7-8,14H,6,11H2,1-3H3,(H,12,13)
InChIKeySERGHJHKNUGWBG-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol

3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol (PubChem CID 107783953) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
PubChem CID107783953
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)Sc1ncc[nH]1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)8(11)7(6-14)15-9-12-4-5-13-9/h4-5,7-8,14H,6,11H2,1-3H3,(H,12,13)
InChIKeySERGHJHKNUGWBG-UHFFFAOYSA-N
XLogP1.24
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,4-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pentan-1-ol
CID 114370715
2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 173250039
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
2-(1H-imidazol-2-ylsulfanyl)-3-methylbutanoic acid
CID 107778960
methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
3-amino-2-(3,4-dimethylphenyl)sulfanyl-4,4-dimethylpentan-1-ol
CID 114370194
3-(1H-imidazol-2-ylsulfanyl)-N-methylheptan-4-amine
CID 107783819
2-(1H-imidazol-2-ylsulfanyl)butanimidamide
CID 107780455
3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol
CID 114369819
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 107784596
methyl 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 107781939

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol (CID 107783953) is 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol is CC(C)(C)C(N)C(CO)Sc1ncc[nH]1.
What is the InChIKey of 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol?
The InChIKey is SERGHJHKNUGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)8(11)7(6-14)15-9-12-4-5-13-9/h4-5,7-8,14H,6,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol?
3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 107783953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).