3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol

C10H21NOS — CID 106160523

IUPAC3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol
SMILESC=C(CC)CNC(C)C(CO)SC
InChIInChI=1S/C10H21NOS/c1-5-8(2)6-11-9(3)10(7-12)13-4/h9-12H,2,5-7H2,1,3-4H3
InChIKeyQRYGGEBTXWDOAZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.65
Rot. Bonds7

About 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol

3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 106160523) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol
PubChem CID106160523
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol
SMILESC=C(CC)CNC(C)C(CO)SC
InChIInChI=1S/C10H21NOS/c1-5-8(2)6-11-9(3)10(7-12)13-4/h9-12H,2,5-7H2,1,3-4H3
InChIKeyQRYGGEBTXWDOAZ-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol (CID 106160523) is 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol is C=C(CC)CNC(C)C(CO)SC.
What is the InChIKey of 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is QRYGGEBTXWDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-8(2)6-11-9(3)10(7-12)13-4/h9-12H,2,5-7H2,1,3-4H3.
What are the key properties of 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol?
3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106160523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).