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

C5H13NOS — CID 174164614

IUPAC(2R)-2-(methylsulfanylamino)butan-1-ol
SMILESCC[C@H](CO)NSC
InChIInChI=1S/C5H13NOS/c1-3-5(4-7)6-8-2/h5-7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyRUJZCQZXOOLVOT-RXMQYKEDSA-N
MW135.23 g/mol
LogP0.62
Rot. Bonds4

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

(2R)-2-(methylsulfanylamino)butan-1-ol (PubChem CID 174164614) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2R)-2-(methylsulfanylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(methylsulfanylamino)butan-1-ol
PubChem CID174164614
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2R)-2-(methylsulfanylamino)butan-1-ol
SMILESCC[C@H](CO)NSC
InChIInChI=1S/C5H13NOS/c1-3-5(4-7)6-8-2/h5-7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyRUJZCQZXOOLVOT-RXMQYKEDSA-N
XLogP0.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.62
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

(2R)-2-(methylsulfanylamino)propan-1-ol
CID 174264431
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549
2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 156729799
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
2-(2,2-dimethylpropylamino)butan-1-ol
CID 61323905
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylsulfanylamino)butan-1-ol?
The IUPAC name of (2R)-2-(methylsulfanylamino)butan-1-ol (CID 174164614) is (2R)-2-(methylsulfanylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(methylsulfanylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(methylsulfanylamino)butan-1-ol is CC[C@H](CO)NSC.
What is the InChIKey of (2R)-2-(methylsulfanylamino)butan-1-ol?
The InChIKey is RUJZCQZXOOLVOT-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-5(4-7)6-8-2/h5-7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-(methylsulfanylamino)butan-1-ol?
(2R)-2-(methylsulfanylamino)butan-1-ol has a molecular weight of 135.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylsulfanylamino)butan-1-ol is sourced from PubChem (CID 174164614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).