2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride

C12H25ClN2O2S — CID 119336131

IUPAC2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC1(SC)CCOCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-3-4-10(13)11(15)14-9-12(17-2)5-7-16-8-6-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyUITJNJNOPOWIBQ-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride

2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride (PubChem CID 119336131) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
PubChem CID119336131
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC1(SC)CCOCC1.Cl
InChIInChI=1S/C12H24N2O2S.ClH/c1-3-4-10(13)11(15)14-9-12(17-2)5-7-16-8-6-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H
InChIKeyUITJNJNOPOWIBQ-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
3-amino-2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-phenylpropanamide
CID 119805546
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
CID 119336140
4-acetyl-N'-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]piperazine-1-carboximidamide
CID 119139339
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride (CID 119336131) is 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCC1(SC)CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride?
The InChIKey is UITJNJNOPOWIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S.ClH/c1-3-4-10(13)11(15)14-9-12(17-2)5-7-16-8-6-12;/h10H,3-9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride?
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride has a molecular weight of 296.86 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119336131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).