1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine

C11H21N3OS — CID 107511250

IUPAC1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(COC)CSc1nccn1C
InChIInChI=1S/C11H21N3OS/c1-4-5-12-10(8-15-3)9-16-11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyMNWQCILERISRSU-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.53
Rot. Bonds8

About 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine

1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine (PubChem CID 107511250) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine
PubChem CID107511250
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(COC)CSc1nccn1C
InChIInChI=1S/C11H21N3OS/c1-4-5-12-10(8-15-3)9-16-11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyMNWQCILERISRSU-UHFFFAOYSA-N
XLogP1.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4178854
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CID 23658977
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
CID 43038477
N-(1-methoxypropan-2-yl)-1-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571613
1-(1-methoxypropan-2-yl)-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571614
2-methoxy-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-yl]methyl]ethanamine
CID 113544090
4-[4-(1-Cyclopropylimidazol-2-yl)sulfanyl-1,1,1-trifluorobutan-2-yl]morpholine
CID 136574645
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-1-amine
CID 16252037
1-(2-Methoxyethyl)-2-methylsulfanylimidazole
CID 13031802
N-(3-(1H-imidazol-1-yl)propyl)-2-methoxyethylamine
CID 15035099
Ethyl 2-(1-methylimidazol-2-yl)sulfanylethanimidate
CID 53877744
N-(2-ethoxyethyl)-3-imidazol-1-ylpropan-1-amine
CID 60685190

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine (CID 107511250) is 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine is CCCNC(COC)CSc1nccn1C.
What is the InChIKey of 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is MNWQCILERISRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-5-12-10(8-15-3)9-16-11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine?
1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 107511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).