3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine

C10H21NOS — CID 114472578

IUPAC3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine
SMILESC=C(C)CCNCCC(C)S(C)=O
InChIInChI=1S/C10H21NOS/c1-9(2)5-7-11-8-6-10(3)13(4)12/h10-11H,1,5-8H2,2-4H3
InChIKeyLDZYAKQDZQNWOC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.70
Rot. Bonds7

About 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine

3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine (PubChem CID 114472578) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine
PubChem CID114472578
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine
SMILESC=C(C)CCNCCC(C)S(C)=O
InChIInChI=1S/C10H21NOS/c1-9(2)5-7-11-8-6-10(3)13(4)12/h10-11H,1,5-8H2,2-4H3
InChIKeyLDZYAKQDZQNWOC-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(3-methylsulfinylbutylamino)butan-2-ol
CID 114493706
N-(2-tert-butylsulfonylethyl)-3-methylsulfinylbutan-1-amine
CID 106724475
(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
CID 115729496
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894477
3-methylsulfinyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887943
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
N-[(3-fluorophenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711826
2-amino-N-(3-methylsulfinylbutyl)butanamide
CID 115734815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine (CID 114472578) is 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine is C=C(C)CCNCCC(C)S(C)=O.
What is the InChIKey of 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine?
The InChIKey is LDZYAKQDZQNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)5-7-11-8-6-10(3)13(4)12/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine?
3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine is sourced from PubChem (CID 114472578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).