4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

C11H21N3OS — CID 107784596

IUPAC4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSc1ncc[nH]1
InChIInChI=1S/C11H21N3OS/c1-9(2)14-11(3,8-15)4-7-16-10-12-5-6-13-10/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyJMIGIGJZJHPXGU-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.64
Rot. Bonds7

About 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 107784596) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID107784596
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCSc1ncc[nH]1
InChIInChI=1S/C11H21N3OS/c1-9(2)14-11(3,8-15)4-7-16-10-12-5-6-13-10/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyJMIGIGJZJHPXGU-UHFFFAOYSA-N
XLogP1.64
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64808380
2-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 114000936
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64808384
4-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylbutanenitrile
CID 103705449
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
2-amino-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanamide
CID 107781855
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
2-(1H-imidazol-2-ylsulfanyl)-2-methylpropan-1-ol
CID 173250039
methyl 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 107781939
methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
methyl 2-(cyclopropylamino)-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanoate
CID 114000941

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 107784596) is 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCSc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is JMIGIGJZJHPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)14-11(3,8-15)4-7-16-10-12-5-6-13-10/h5-6,9,14-15H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 107784596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).