2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide

C10H22N2OS — CID 66227909

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(CCN)SCC(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)12(4)10(13)7-14-9(3)5-6-11/h8-9H,5-7,11H2,1-4H3
InChIKeyFQGJUNBPPMPDMN-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.32
Rot. Bonds6

About 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide

2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 66227909) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
PubChem CID66227909
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(CCN)SCC(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)12(4)10(13)7-14-9(3)5-6-11/h8-9H,5-7,11H2,1-4H3
InChIKeyFQGJUNBPPMPDMN-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-N,N-dimethylacetamide
CID 66229987
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
2-(4-aminobutan-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 66230925
2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
CID 78814922
2-amino-4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929861
2-(4-aminobutan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66226245
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
3-(2,3-dichloroprop-2-enylsulfanyl)butan-1-amine
CID 79173763
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66229989
(2R)-2-amino-3-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 106442921

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide (CID 66227909) is 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide is CC(CCN)SCC(=O)N(C)C(C)C.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is FQGJUNBPPMPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)12(4)10(13)7-14-9(3)5-6-11/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 218.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66227909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).