(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine

C10H21NO2S — CID 144946228

IUPAC(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine
SMILESCC/C=C(\C)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-7-10(2)11(3)8-6-9-14(4,12)13/h7H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyJGGRDSWBGHDWMC-JXMROGBWSA-N
MW219.35 g/mol
LogP1.67
Rot. Bonds6

About (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine

(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine (PubChem CID 144946228) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine
PubChem CID144946228
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine
SMILESCC/C=C(\C)N(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-7-10(2)11(3)8-6-9-14(4,12)13/h7H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyJGGRDSWBGHDWMC-JXMROGBWSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine?
The IUPAC name of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine (CID 144946228) is (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine.
What is the SMILES notation for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine?
The canonical SMILES for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine is CC/C=C(\C)N(C)CCCS(C)(=O)=O.
What is the InChIKey of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine?
The InChIKey is JGGRDSWBGHDWMC-JXMROGBWSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-7-10(2)11(3)8-6-9-14(4,12)13/h7H,5-6,8-9H2,1-4H3/b10-7+.
What are the key properties of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine?
(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine is sourced from PubChem (CID 144946228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).