2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol

C10H19N3OS — CID 115711534

IUPAC2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NCc1nccn1C
InChIInChI=1S/C10H19N3OS/c1-13-5-4-11-10(13)7-12-9(8-14)3-6-15-2/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyHDHZOVXMAWALHW-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.62
Rot. Bonds7

About 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol

2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol (PubChem CID 115711534) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
PubChem CID115711534
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)NCc1nccn1C
InChIInChI=1S/C10H19N3OS/c1-13-5-4-11-10(13)7-12-9(8-14)3-6-15-2/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyHDHZOVXMAWALHW-UHFFFAOYSA-N
XLogP0.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
(2S)-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 63026754

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol (CID 115711534) is 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol is CSCCC(CO)NCc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The InChIKey is HDHZOVXMAWALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-13-5-4-11-10(13)7-12-9(8-14)3-6-15-2/h4-5,9,12,14H,3,6-8H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol?
2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 115711534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).