(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

C9H19NO2S — CID 144566521

IUPAC(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CNCCCS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-7-10-8-6-9-13(2,11)12/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyHDOBCKUEKAFNRR-SNAWJCMRSA-N
MW205.32 g/mol
LogP0.98
Rot. Bonds7

About (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (PubChem CID 144566521) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
PubChem CID144566521
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CNCCCS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-3-4-5-7-10-8-6-9-13(2,11)12/h4-5,10H,3,6-9H2,1-2H3/b5-4+
InChIKeyHDOBCKUEKAFNRR-SNAWJCMRSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(Butylamino)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13809525
(1,1-Dioxido-2,3-dihydro-3-thienyl)(1-ethylpropyl)amine
CID 50958657
4-Ethylsulfonyl-1,2,3,6-tetrahydropyridine
CID 57199052
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
2-Methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 59894354
3-methylsulfonyl-N-prop-2-enylpropan-1-amine
CID 62140502
N-(2-methylsulfonylethyl)but-3-en-1-amine
CID 64315813
3-Pent-3-enylsulfonylpropan-1-amine
CID 72391309
2-Methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 89923419
(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 90058859
(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 90058864
4-(Methylsulfonylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125451

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The IUPAC name of (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (CID 144566521) is (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is CC/C=C/CNCCCS(C)(=O)=O.
What is the InChIKey of (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The InChIKey is HDOBCKUEKAFNRR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-4-5-7-10-8-6-9-13(2,11)12/h4-5,10H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is sourced from PubChem (CID 144566521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).