N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide

C11H24N2O2S — CID 106161447

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCSC(CO)C(C)NC(=O)CCNC(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)12-6-5-11(15)13-9(3)10(7-14)16-4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyYBAXRCOJBOOXGT-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.60
Rot. Bonds8

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 106161447) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
PubChem CID106161447
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCSC(CO)C(C)NC(=O)CCNC(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)12-6-5-11(15)13-9(3)10(7-14)16-4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyYBAXRCOJBOOXGT-UHFFFAOYSA-N
XLogP0.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
CID 103801257
N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160739
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798968
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
CID 106161631
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 114151192
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide (CID 106161447) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide is CSC(CO)C(C)NC(=O)CCNC(C)C.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is YBAXRCOJBOOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)12-6-5-11(15)13-9(3)10(7-14)16-4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 248.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 106161447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).