N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

C10H22N2O2S — CID 106160739

IUPACN-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCCNC(=O)CCNC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-4-11-10(14)5-6-12-8(2)9(7-13)15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyXDASEJJSPKFOFC-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.21
Rot. Bonds8

About N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (PubChem CID 106160739) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
PubChem CID106160739
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCCNC(=O)CCNC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-4-11-10(14)5-6-12-8(2)9(7-13)15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)
InChIKeyXDASEJJSPKFOFC-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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanimidamide
CID 106161765
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
CID 103801257
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042
N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160696
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95613902
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (CID 106160739) is N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is CCNC(=O)CCNC(C)C(CO)SC.
What is the InChIKey of N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The InChIKey is XDASEJJSPKFOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-11-10(14)5-6-12-8(2)9(7-13)15-3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14).
What are the key properties of N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide 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 N-ethyl-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 106160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).