2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide

C12H26N2OS — CID 103797840

IUPAC2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
SMILESCCC(CC)(CNC(=O)C(N)C(C)C)SC
InChIInChI=1S/C12H26N2OS/c1-6-12(7-2,16-5)8-14-11(15)10(13)9(3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyPBPRRRJTWUYDCD-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.01
Rot. Bonds7

About 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide (PubChem CID 103797840) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
PubChem CID103797840
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
SMILESCCC(CC)(CNC(=O)C(N)C(C)C)SC
InChIInChI=1S/C12H26N2OS/c1-6-12(7-2,16-5)8-14-11(15)10(13)9(3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyPBPRRRJTWUYDCD-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
CID 103881656
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide (CID 103797840) is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide is CCC(CC)(CNC(=O)C(N)C(C)C)SC.
What is the InChIKey of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide?
The InChIKey is PBPRRRJTWUYDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-6-12(7-2,16-5)8-14-11(15)10(13)9(3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide?
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide has a molecular weight of 246.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide is sourced from PubChem (CID 103797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).