(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine

C10H21N3O2S — CID 170047480

IUPAC(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C(=C(/NN)N(C)C(C)C)S(=O)(=O)CC
InChIInChI=1S/C10H21N3O2S/c1-6-9(16(14,15)7-2)10(12-11)13(5)8(3)4/h6,8,12H,1,7,11H2,2-5H3/b10-9+
InChIKeyISJXVRBKRYKGFG-MDZDMXLPSA-N
MW247.36 g/mol
LogP0.58
Rot. Bonds6

About (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine

(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine (PubChem CID 170047480) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
PubChem CID170047480
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C(=C(/NN)N(C)C(C)C)S(=O)(=O)CC
InChIInChI=1S/C10H21N3O2S/c1-6-9(16(14,15)7-2)10(12-11)13(5)8(3)4/h6,8,12H,1,7,11H2,2-5H3/b10-9+
InChIKeyISJXVRBKRYKGFG-MDZDMXLPSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432
3-amino-1-methyl-1-pentan-3-ylurea
CID 43571547
1-ethenyl-3-methyl-1,3-di(propan-2-yl)urea
CID 166800460
N-ethylsulfonyl-N-methylprop-2-enamide
CID 148776379
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
N-methyl-N-(1-methylsulfonylethyl)propanamide
CID 173145957
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine (CID 170047480) is (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine is C=C/C(=C(/NN)N(C)C(C)C)S(=O)(=O)CC.
What is the InChIKey of (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
The InChIKey is ISJXVRBKRYKGFG-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-6-9(16(14,15)7-2)10(12-11)13(5)8(3)4/h6,8,12H,1,7,11H2,2-5H3/b10-9+.
What are the key properties of (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine?
(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine has a molecular weight of 247.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 170047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).