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

C8H16BrNOS — CID 106160834

IUPAC3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol
SMILESC=C(Br)CNC(C)C(CO)SC
InChIInChI=1S/C8H16BrNOS/c1-6(9)4-10-7(2)8(5-11)12-3/h7-8,10-11H,1,4-5H2,2-3H3
InChIKeyWAOYFLICNDFSSC-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.60
Rot. Bonds6

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

3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 106160834) has the molecular formula C8H16BrNOS and a molecular weight of 254.19 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol
PubChem CID106160834
Molecular FormulaC8H16BrNOS
Molecular Weight254.19 g/mol
Exact Mass253.01
IUPAC Name3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol
SMILESC=C(Br)CNC(C)C(CO)SC
InChIInChI=1S/C8H16BrNOS/c1-6(9)4-10-7(2)8(5-11)12-3/h7-8,10-11H,1,4-5H2,2-3H3
InChIKeyWAOYFLICNDFSSC-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160798
1-(azepan-1-yl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]ethanone
CID 114151959
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735
3-(2,2-dimethoxyethylamino)-2-methylsulfanylbutan-1-ol
CID 106158604
3-[2-(3-methylbutoxy)ethylamino]-2-methylsulfanylbutan-1-ol
CID 106160608
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 106160802
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
3-methyl-2-methylsulfanylbutan-1-ol
CID 117035456
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanimidamide
CID 106161765
2-methylsulfanyl-3-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 106160499
2-methylsulfanyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115722551

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol (CID 106160834) is 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol is C=C(Br)CNC(C)C(CO)SC.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is WAOYFLICNDFSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNOS/c1-6(9)4-10-7(2)8(5-11)12-3/h7-8,10-11H,1,4-5H2,2-3H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol?
3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 254.19 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106160834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).