(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane

C10H17NOS — CID 162055565

IUPAC(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
SMILESCN[C@@H](C)[C@H](O)c1ccccc1.S
InChIInChI=1S/C10H15NO.H2S/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H2/t8-,10-;/m0./s1
InChIKeyYZCZFNATXQENOE-GNAZCLTHSA-N
MW199.32 g/mol
LogP1.44
Rot. Bonds3

About (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane (PubChem CID 162055565) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane.

Molecular Properties

Compound Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
PubChem CID162055565
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
SMILESCN[C@@H](C)[C@H](O)c1ccccc1.S
InChIInChI=1S/C10H15NO.H2S/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H2/t8-,10-;/m0./s1
InChIKeyYZCZFNATXQENOE-GNAZCLTHSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 53463041
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane?
The IUPAC name of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane (CID 162055565) is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane.
What is the SMILES notation for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane?
The canonical SMILES for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane is CN[C@@H](C)[C@H](O)c1ccccc1.S.
What is the InChIKey of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane?
The InChIKey is YZCZFNATXQENOE-GNAZCLTHSA-N. The full InChI is InChI=1S/C10H15NO.H2S/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H2/t8-,10-;/m0./s1.
What are the key properties of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane?
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane has a molecular weight of 199.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane is sourced from PubChem (CID 162055565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).