3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol

C10H21NOS — CID 106547216

IUPAC3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCC=C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)5-6-11-9(3)10(7-12)13-4/h5,9-12H,6-7H2,1-4H3
InChIKeyUTCZIOLUOOPBPN-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.65
Rot. Bonds6

About 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol

3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 106547216) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol
PubChem CID106547216
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCC=C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)5-6-11-9(3)10(7-12)13-4/h5,9-12H,6-7H2,1-4H3
InChIKeyUTCZIOLUOOPBPN-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3-(3-Methylbut-2-enylamino)butan-1-ol
CID 103522708
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 103785151
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990
3-[[(E)-but-2-enyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160461
3-(But-3-enylamino)-2-methylsulfanylbutan-1-ol
CID 106160504
3-(2-Methylidenebutylamino)-2-methylsulfanylbutan-1-ol
CID 106160523
3-(But-3-en-2-ylamino)-2-methylsulfanylbutan-1-ol
CID 106160542
2-Methylsulfanyl-3-(prop-2-enylamino)butan-1-ol
CID 106160611
3-(2-Methylprop-2-enylamino)-2-methylsulfanylbutan-1-ol
CID 106160641
3-[[(E)-4-chlorobut-2-enyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160647
3-(3-Methylbut-3-enylamino)-2-methylsulfanylbutan-1-ol
CID 106160651
3-[[(E)-3-chloroprop-2-enyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160680

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol (CID 106547216) is 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NCC=C(C)C.
What is the InChIKey of 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is UTCZIOLUOOPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)5-6-11-9(3)10(7-12)13-4/h5,9-12H,6-7H2,1-4H3.
What are the key properties of 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol?
3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).