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

C12H23NO2S — CID 107764630

IUPAC2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
SMILESCNC(CO)(CSC1CCOC1C)C1CC1
InChIInChI=1S/C12H23NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZYTZWWVMUVNZOM-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.26
Rot. Bonds6

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

2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol (PubChem CID 107764630) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
PubChem CID107764630
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
SMILESCNC(CO)(CSC1CCOC1C)C1CC1
InChIInChI=1S/C12H23NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZYTZWWVMUVNZOM-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
2-amino-3-(2-methyloxolan-3-yl)sulfanyl-2-phenylpropan-1-ol
CID 107764604
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-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
CID 107764612
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107755232
2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807175
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
N,3-dimethyl-1-(2-methyloxolan-3-yl)sulfanylbutan-2-amine
CID 107762583
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784660
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol (CID 107764630) is 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol is CNC(CO)(CSC1CCOC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol?
The InChIKey is ZYTZWWVMUVNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9-11(5-6-15-9)16-8-12(7-14,13-2)10-3-4-10/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol has a molecular weight of 245.39 g/mol, XLogP of 1.26, 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-methyloxolan-3-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 107764630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).