3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine

C9H19NO2S — CID 54357399

IUPAC3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
SMILESCCCCS(=O)(=O)C=CCN(C)C
InChIInChI=1S/C9H19NO2S/c1-4-5-8-13(11,12)9-6-7-10(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyUKBRKJYQIDOPHM-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.28
Rot. Bonds6

About 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine

3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine (PubChem CID 54357399) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
PubChem CID54357399
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine
SMILESCCCCS(=O)(=O)C=CCN(C)C
InChIInChI=1S/C9H19NO2S/c1-4-5-8-13(11,12)9-6-7-10(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyUKBRKJYQIDOPHM-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine (CID 54357399) is 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine is CCCCS(=O)(=O)C=CCN(C)C.
What is the InChIKey of 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine?
The InChIKey is UKBRKJYQIDOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-5-8-13(11,12)9-6-7-10(2)3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine?
3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine has a molecular weight of 205.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 54357399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).