2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol

C11H19N3OS — CID 107784607

IUPAC2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
SMILESCCNC(CO)(CSc1ncc[nH]1)C1CC1
InChIInChI=1S/C11H19N3OS/c1-2-14-11(7-15,9-3-4-9)8-16-10-12-5-6-13-10/h5-6,9,14-15H,2-4,7-8H2,1H3,(H,12,13)
InChIKeyQIFSMTPSLMKZRC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.25
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol (PubChem CID 107784607) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
PubChem CID107784607
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
SMILESCCNC(CO)(CSc1ncc[nH]1)C1CC1
InChIInChI=1S/C11H19N3OS/c1-2-14-11(7-15,9-3-4-9)8-16-10-12-5-6-13-10/h5-6,9,14-15H,2-4,7-8H2,1H3,(H,12,13)
InChIKeyQIFSMTPSLMKZRC-UHFFFAOYSA-N
XLogP1.25
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(1H-imidazol-2-ylsulfanyl)-2-(methylamino)propanoate
CID 107781833
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
CID 64806798
2-cyclopropyl-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)propan-1-ol
CID 102926682
2-cyclopropyl-2-(ethylamino)-3-ethylsulfanylpropan-1-ol
CID 64818609
2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64808097
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807982
2-cyclopropyl-2-(ethylamino)-3-(2-methylpropylsulfanyl)propan-1-ol
CID 64820599
methyl 3-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylpropanoate
CID 103351434
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
2-cyclopropyl-2-(ethylamino)-3-(2-propylimidazol-1-yl)propan-1-ol
CID 64809827
2-cyclopropyl-2-(ethylamino)-3-pentylsulfanylpropan-1-ol
CID 107764647

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol (CID 107784607) is 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol is CCNC(CO)(CSc1ncc[nH]1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is QIFSMTPSLMKZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-14-11(7-15,9-3-4-9)8-16-10-12-5-6-13-10/h5-6,9,14-15H,2-4,7-8H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 107784607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).