2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol

C13H23N3OS — CID 64820187

IUPAC2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1nccn1C
InChIInChI=1S/C13H23N3OS/c1-10(18-12-14-6-7-16(12)3)8-13(2,9-17)15-11-4-5-11/h6-7,10-11,15,17H,4-5,8-9H2,1-3H3
InChIKeyLTIXCORRUYTVDU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.79
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol

2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol (PubChem CID 64820187) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
PubChem CID64820187
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1nccn1C
InChIInChI=1S/C13H23N3OS/c1-10(18-12-14-6-7-16(12)3)8-13(2,9-17)15-11-4-5-11/h6-7,10-11,15,17H,4-5,8-9H2,1-3H3
InChIKeyLTIXCORRUYTVDU-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol (CID 64820187) is 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol is CC(CC(C)(CO)NC1CC1)Sc1nccn1C.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The InChIKey is LTIXCORRUYTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(18-12-14-6-7-16(12)3)8-13(2,9-17)15-11-4-5-11/h6-7,10-11,15,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 64820187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).