2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol

C14H21NO2S — CID 64806795

IUPAC2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSc1cccc(OC)c1)C1CC1
InChIInChI=1S/C14H21NO2S/c1-15-14(9-16,11-6-7-11)10-18-13-5-3-4-12(8-13)17-2/h3-5,8,11,15-16H,6-7,9-10H2,1-2H3
InChIKeyQAFJMWCKITXKPN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.15
Rot. Bonds7

About 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol (PubChem CID 64806795) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
PubChem CID64806795
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSc1cccc(OC)c1)C1CC1
InChIInChI=1S/C14H21NO2S/c1-15-14(9-16,11-6-7-11)10-18-13-5-3-4-12(8-13)17-2/h3-5,8,11,15-16H,6-7,9-10H2,1-2H3
InChIKeyQAFJMWCKITXKPN-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
methyl 3-(3-chlorophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63919465
2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
CID 106810884
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807848

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol (CID 64806795) is 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol is CNC(CO)(CSc1cccc(OC)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The InChIKey is QAFJMWCKITXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15-14(9-16,11-6-7-11)10-18-13-5-3-4-12(8-13)17-2/h3-5,8,11,15-16H,6-7,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64806795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).