3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol

C9H21NO2S — CID 114369839

IUPAC3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
SMILESCOCC(N)C(CO)SCC(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)6-13-9(4-11)8(10)5-12-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeySAIYDSPRDCRWLH-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.71
Rot. Bonds7

About 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol

3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol (PubChem CID 114369839) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
PubChem CID114369839
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
SMILESCOCC(N)C(CO)SCC(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)6-13-9(4-11)8(10)5-12-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeySAIYDSPRDCRWLH-UHFFFAOYSA-N
XLogP0.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol
CID 134903532
2-Amino-4-(3-methoxypropylsulfanyl)butan-1-ol
CID 64807382
2-Amino-3-(3-methoxypropylsulfanyl)propan-1-ol
CID 64808634
2-Amino-3-(2-methylpropylsulfanyl)propan-1-ol
CID 64818580
2-Amino-4-(2-methoxyethylsulfanyl)butan-1-ol
CID 64820149
2-Amino-4-(2-methylpropylsulfanyl)butan-1-ol
CID 64820819
2-Amino-4-butylsulfanylbutan-1-ol
CID 64821481
2-Amino-4-tert-butylsulfanylbutan-1-ol
CID 64821518
2-Amino-4-butan-2-ylsulfanylbutan-1-ol
CID 64821966
3-Amino-4-(2-methylpropylsulfinyl)butan-1-ol
CID 64898017
3-Amino-2-butylsulfanylbutan-1-ol
CID 64898741
3-Amino-2-(2-methylpropylsulfanyl)butan-1-ol
CID 64898742

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol (CID 114369839) is 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol is COCC(N)C(CO)SCC(C)C.
What is the InChIKey of 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol?
The InChIKey is SAIYDSPRDCRWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(2)6-13-9(4-11)8(10)5-12-3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol?
3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol has a molecular weight of 207.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol is sourced from PubChem (CID 114369839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).