2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol

C12H19NO2S — CID 107784660

IUPAC2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
SMILESCNC(CO)(CSc1ccoc1C)C1CC1
InChIInChI=1S/C12H19NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h5-6,10,13-14H,3-4,7-8H2,1-2H3
InChIKeyFAVZQZKIASZIJD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.04
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol

2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol (PubChem CID 107784660) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
PubChem CID107784660
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
SMILESCNC(CO)(CSc1ccoc1C)C1CC1
InChIInChI=1S/C12H19NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h5-6,10,13-14H,3-4,7-8H2,1-2H3
InChIKeyFAVZQZKIASZIJD-UHFFFAOYSA-N
XLogP2.04
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781762
methyl 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107782150
3-(4-tert-butylphenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64807451
2-amino-2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781761
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
methyl 2-methyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107782218
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64806795
2-cyclopropyl-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 64807848
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64805519
2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764771
2-(cyclopropylamino)-2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanenitrile
CID 107781741
2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64805340

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol (CID 107784660) is 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol is CNC(CO)(CSc1ccoc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol?
The InChIKey is FAVZQZKIASZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h5-6,10,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 107784660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).