3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide

C9H20N2OS — CID 66229613

IUPAC3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide
SMILESCCC(N)CSCCC(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-4-8(10)7-13-6-5-9(12)11(2)3/h8H,4-7,10H2,1-3H3
InChIKeyRVNZASQPCXUGDS-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.94
Rot. Bonds6

About 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide

3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide (PubChem CID 66229613) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide
PubChem CID66229613
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide
SMILESCCC(N)CSCCC(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-4-8(10)7-13-6-5-9(12)11(2)3/h8H,4-7,10H2,1-3H3
InChIKeyRVNZASQPCXUGDS-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 66228468
2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
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1-hexylsulfanylbutan-2-amine
CID 66228933
3-(3-aminopentylsulfanyl)propanoic acid
CID 153445047
2-amino-3-[4-(diethylamino)-4-oxobutyl]sulfanylpropanoic acid
CID 43385480
3-(2-amino-2-oxoethyl)sulfanyl-N,N-diethylpropanamide
CID 60734352
2-[4-(dimethylamino)-4-oxobutyl]sulfanylbutanoic acid
CID 105352978
N,N-dimethylbutanamide;hydrochloride
CID 87498306
methyl 4-[3-(dimethylamino)-3-oxopropyl]sulfanyl-2-methyl-3-(2-oxopyrrolidin-1-yl)butanoate
CID 134509326
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide
CID 130427166

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide (CID 66229613) is 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide is CCC(N)CSCCC(=O)N(C)C.
What is the InChIKey of 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide?
The InChIKey is RVNZASQPCXUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-8(10)7-13-6-5-9(12)11(2)3/h8H,4-7,10H2,1-3H3.
What are the key properties of 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide?
3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 66229613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).