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

C11H19N3OS — CID 64820426

IUPAC2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCn1ccnc1SCC(C)(CO)NC1CC1
InChIInChI=1S/C11H19N3OS/c1-11(7-15,13-9-3-4-9)8-16-10-12-5-6-14(10)2/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyOBZUPPLAGJHIKC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.02
Rot. Bonds6

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

2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol (PubChem CID 64820426) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
PubChem CID64820426
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
SMILESCn1ccnc1SCC(C)(CO)NC1CC1
InChIInChI=1S/C11H19N3OS/c1-11(7-15,13-9-3-4-9)8-16-10-12-5-6-14(10)2/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyOBZUPPLAGJHIKC-UHFFFAOYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
CID 64807049
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64819737
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079
2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
CID 64820866
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
CID 64710648
methyl 2,2-dimethyl-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 79622717
2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 63915925
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-tert-butylsulfanyl-1-methylimidazole
CID 10261609
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64810100

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol (CID 64820426) is 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol is Cn1ccnc1SCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
The InChIKey is OBZUPPLAGJHIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(7-15,13-9-3-4-9)8-16-10-12-5-6-14(10)2/h5-6,9,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol?
2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64820426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).