4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide

C10H22N2O2S — CID 106247633

IUPAC4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCSCC(C)(O)CNC(=O)CCC(C)N
InChIInChI=1S/C10H22N2O2S/c1-8(11)4-5-9(13)12-6-10(2,14)7-15-3/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMVCJHLMDBZQGHN-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.34
Rot. Bonds7

About 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide (PubChem CID 106247633) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
PubChem CID106247633
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCSCC(C)(O)CNC(=O)CCC(C)N
InChIInChI=1S/C10H22N2O2S/c1-8(11)4-5-9(13)12-6-10(2,14)7-15-3/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyMVCJHLMDBZQGHN-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
CID 106247694
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide (CID 106247633) is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide is CSCC(C)(O)CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide?
The InChIKey is MVCJHLMDBZQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(11)4-5-9(13)12-6-10(2,14)7-15-3/h8,14H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide?
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide has a molecular weight of 234.36 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide is sourced from PubChem (CID 106247633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).