3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide

C12H26N2O2S — CID 113490479

IUPAC3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide
SMILESCC(CCNC(=O)CC(N)C(C)(C)C)S(C)=O
InChIInChI=1S/C12H26N2O2S/c1-9(17(5)16)6-7-14-11(15)8-10(13)12(2,3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyWODRDQGBAMEBNB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.02
Rot. Bonds6

About 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide

3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide (PubChem CID 113490479) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide
PubChem CID113490479
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide
SMILESCC(CCNC(=O)CC(N)C(C)(C)C)S(C)=O
InChIInChI=1S/C12H26N2O2S/c1-9(17(5)16)6-7-14-11(15)8-10(13)12(2,3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyWODRDQGBAMEBNB-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165
2-amino-N-(3-methylsulfinylbutyl)butanamide
CID 115734815
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740859
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
CID 115729496
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
2-(1-methylcyclohexyl)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]acetamide
CID 97241021
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
1-[(3R)-4-methylpent-1-yn-3-yl]-3-[(3R)-3-[(R)-methylsulfinyl]butyl]urea
CID 129434504
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide (CID 113490479) is 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide is CC(CCNC(=O)CC(N)C(C)(C)C)S(C)=O.
What is the InChIKey of 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide?
The InChIKey is WODRDQGBAMEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9(17(5)16)6-7-14-11(15)8-10(13)12(2,3)4/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide?
3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide has a molecular weight of 262.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide is sourced from PubChem (CID 113490479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).