N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide

C9H17NO3S — CID 129313816

IUPACN-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide
SMILESCC/C(C)=C(/CS(=O)(=O)CC)NC=O
InChIInChI=1S/C9H17NO3S/c1-4-8(3)9(10-7-11)6-14(12,13)5-2/h7H,4-6H2,1-3H3,(H,10,11)/b9-8-
InChIKeyXHBLVAPNJBHRTK-HJWRWDBZSA-N
MW219.31 g/mol
LogP0.85
Rot. Bonds6

About N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide

N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide (PubChem CID 129313816) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide
PubChem CID129313816
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide
SMILESCC/C(C)=C(/CS(=O)(=O)CC)NC=O
InChIInChI=1S/C9H17NO3S/c1-4-8(3)9(10-7-11)6-14(12,13)5-2/h7H,4-6H2,1-3H3,(H,10,11)/b9-8-
InChIKeyXHBLVAPNJBHRTK-HJWRWDBZSA-N
XLogP0.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
CID 142187150
N-(2-methylbut-1-enyl)formamide
CID 54247749
(2Z)-N-formyl-2-(methylaminomethylidene)butanamide
CID 154939829
2-formamido-3-methyloct-2-enoic acid
CID 73413520
N-(2-ethylsulfonylethyl)-3-methylbut-2-en-1-amine
CID 106547093
(Z)-3,4-dimethylhex-3-enoic acid
CID 55301212
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299
N-hydroxyformamide;methanesulfonic acid
CID 174740545
ethanesulfonic acid;formic acid
CID 87503053
N-(N'-ethylcarbamimidoyl)formamide
CID 71416538
[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate
CID 54307841
ethyl 3,3-diformamido-2-methylprop-2-enoate
CID 87660528

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide?
The IUPAC name of N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide (CID 129313816) is N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide is CC/C(C)=C(/CS(=O)(=O)CC)NC=O.
What is the InChIKey of N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide?
The InChIKey is XHBLVAPNJBHRTK-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-4-8(3)9(10-7-11)6-14(12,13)5-2/h7H,4-6H2,1-3H3,(H,10,11)/b9-8-.
What are the key properties of N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide?
N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide has a molecular weight of 219.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide is sourced from PubChem (CID 129313816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).