(2R)-2-(methylsulfanylamino)propan-1-ol

C4H11NOS — CID 174264431

IUPAC(2R)-2-(methylsulfanylamino)propan-1-ol
SMILESCSN[C@H](C)CO
InChIInChI=1S/C4H11NOS/c1-4(3-6)5-7-2/h4-6H,3H2,1-2H3/t4-/m1/s1
InChIKeySCUJZICHWDYYAE-SCSAIBSYSA-N
MW121.20 g/mol
LogP0.23
Rot. Bonds3

About (2R)-2-(methylsulfanylamino)propan-1-ol

(2R)-2-(methylsulfanylamino)propan-1-ol (PubChem CID 174264431) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (2R)-2-(methylsulfanylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(methylsulfanylamino)propan-1-ol
PubChem CID174264431
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(2R)-2-(methylsulfanylamino)propan-1-ol
SMILESCSN[C@H](C)CO
InChIInChI=1S/C4H11NOS/c1-4(3-6)5-7-2/h4-6H,3H2,1-2H3/t4-/m1/s1
InChIKeySCUJZICHWDYYAE-SCSAIBSYSA-N
XLogP0.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[(2S)-1-hydroxypropan-2-yl]hydrazinyl]propan-1-ol
CID 92556899
(2R)-2-(methylsulfanylamino)butan-1-ol
CID 174164614
(2S)-2-(methylamino)propan-1-ol;hydrochloride
CID 46942002
2-(methylamino)propan-1-ol;hydrochloride
CID 75245213
methane;2-(methylamino)propan-1-ol
CID 158331207
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111435312
(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
ethane;2-methylpropane-1,3-diol
CID 87127502
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylsulfanylamino)propan-1-ol?
The IUPAC name of (2R)-2-(methylsulfanylamino)propan-1-ol (CID 174264431) is (2R)-2-(methylsulfanylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(methylsulfanylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(methylsulfanylamino)propan-1-ol is CSN[C@H](C)CO.
What is the InChIKey of (2R)-2-(methylsulfanylamino)propan-1-ol?
The InChIKey is SCUJZICHWDYYAE-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(3-6)5-7-2/h4-6H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-(methylsulfanylamino)propan-1-ol?
(2R)-2-(methylsulfanylamino)propan-1-ol has a molecular weight of 121.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylsulfanylamino)propan-1-ol is sourced from PubChem (CID 174264431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).