3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol

C8H19NO2S — CID 106160798

IUPAC3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC[C@H](C)O
InChIInChI=1S/C8H19NO2S/c1-6(11)4-9-7(2)8(5-10)12-3/h6-11H,4-5H2,1-3H3/t6-,7?,8?/m0/s1
InChIKeyAXNBCVUIBSZIKB-KKMMWDRVSA-N
MW193.31 g/mol
LogP0.07
Rot. Bonds6

About 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol

3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106160798) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106160798
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC[C@H](C)O
InChIInChI=1S/C8H19NO2S/c1-6(11)4-9-7(2)8(5-10)12-3/h6-11H,4-5H2,1-3H3/t6-,7?,8?/m0/s1
InChIKeyAXNBCVUIBSZIKB-KKMMWDRVSA-N
XLogP0.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethoxyethylamino)-2-methylsulfanylbutan-1-ol
CID 106158604
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
CID 106160676
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735
3-(2-bromoprop-2-enylamino)-2-methylsulfanylbutan-1-ol
CID 106160834
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160479
4-[2-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propoxy]benzonitrile
CID 106160490
3-methyl-2-methylsulfanylbutan-1-ol
CID 117035456
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanimidamide
CID 106161765
3-[2-(3-methylbutoxy)ethylamino]-2-methylsulfanylbutan-1-ol
CID 106160608

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol (CID 106160798) is 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC[C@H](C)O.
What is the InChIKey of 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is AXNBCVUIBSZIKB-KKMMWDRVSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6(11)4-9-7(2)8(5-10)12-3/h6-11H,4-5H2,1-3H3/t6-,7?,8?/m0/s1.
What are the key properties of 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol?
3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 193.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106160798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).