[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol

C12H19N3OS — CID 107784575

IUPAC[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C12H19N3OS/c16-8-12(15-9-1-2-9)4-3-10(7-12)17-11-13-5-6-14-11/h5-6,9-10,15-16H,1-4,7-8H2,(H,13,14)
InChIKeyHAOLHHIHTFLDKG-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.54
Rot. Bonds5

About [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol

[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol (PubChem CID 107784575) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
PubChem CID107784575
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(Sc2ncc[nH]2)C1
InChIInChI=1S/C12H19N3OS/c16-8-12(15-9-1-2-9)4-3-10(7-12)17-11-13-5-6-14-11/h5-6,9-10,15-16H,1-4,7-8H2,(H,13,14)
InChIKeyHAOLHHIHTFLDKG-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
CID 64818854
2-Methyl-2-(methylamino)-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
CID 64819511
2-Cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64819512
2-Methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819967
2-(Cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
CID 64820187
2-Cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propylamino)propan-1-ol
CID 64820647
2-Methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64820865
2-Cyclopropyl-2-(ethylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64821089
2-(Ethylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
CID 64821312
2-Methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821313
2-Methyl-5-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64821758
2-(Cyclopropylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
CID 64821759

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol (CID 107784575) is [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol is OCC1(NC2CC2)CCC(Sc2ncc[nH]2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol?
The InChIKey is HAOLHHIHTFLDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-8-12(15-9-1-2-9)4-3-10(7-12)17-11-13-5-6-14-11/h5-6,9-10,15-16H,1-4,7-8H2,(H,13,14).
What are the key properties of [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol?
[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol has a molecular weight of 253.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol is sourced from PubChem (CID 107784575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).