3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide

C10H22N2O2S — CID 115894341

IUPAC3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CC(C)NC(CO)CCSC
InChIInChI=1S/C10H22N2O2S/c1-8(6-10(14)11-2)12-9(7-13)4-5-15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyBCERHGMRBTXVKM-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.21
Rot. Bonds8

About 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide

3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide (PubChem CID 115894341) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide
PubChem CID115894341
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CC(C)NC(CO)CCSC
InChIInChI=1S/C10H22N2O2S/c1-8(6-10(14)11-2)12-9(7-13)4-5-15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyBCERHGMRBTXVKM-UHFFFAOYSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylpropylsulfanyl)propan-2-ylamino]-4-methylsulfanylbutan-1-ol
CID 115894334
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
N-methyl-3-(4-methylhexan-2-ylamino)butanamide
CID 115892025
2-(1-adamantyl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 46986938
2-amino-N-(1-methylsulfanylpentan-3-yl)acetamide
CID 58388308
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
CID 115725383
ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
ethyl 2-(4-methylsulfanylbutan-2-ylamino)propanoate
CID 115639047
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115894315

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide?
The IUPAC name of 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide (CID 115894341) is 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide.
What is the SMILES notation for 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide?
The canonical SMILES for 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide is CNC(=O)CC(C)NC(CO)CCSC.
What is the InChIKey of 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide?
The InChIKey is BCERHGMRBTXVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(6-10(14)11-2)12-9(7-13)4-5-15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide?
3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide has a molecular weight of 234.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 115894341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).