[(1-chloro-2-methylpropylidene)amino] methanesulfonate

C5H10ClNO3S — CID 131741115

IUPAC[(1-chloro-2-methylpropylidene)amino] methanesulfonate
SMILESCC(C)C(Cl)=NOS(C)(=O)=O
InChIInChI=1S/C5H10ClNO3S/c1-4(2)5(6)7-10-11(3,8)9/h4H,1-3H3
InChIKeyFVQCGSGINJAGOD-UHFFFAOYSA-N
MW199.66 g/mol
LogP1.17
Rot. Bonds3

About [(1-chloro-2-methylpropylidene)amino] methanesulfonate

[(1-chloro-2-methylpropylidene)amino] methanesulfonate (PubChem CID 131741115) has the molecular formula C5H10ClNO3S and a molecular weight of 199.66 g/mol. Its IUPAC name is [(1-chloro-2-methylpropylidene)amino] methanesulfonate.

Molecular Properties

Compound Name[(1-chloro-2-methylpropylidene)amino] methanesulfonate
PubChem CID131741115
Molecular FormulaC5H10ClNO3S
Molecular Weight199.66 g/mol
Exact Mass199.01
IUPAC Name[(1-chloro-2-methylpropylidene)amino] methanesulfonate
SMILESCC(C)C(Cl)=NOS(C)(=O)=O
InChIInChI=1S/C5H10ClNO3S/c1-4(2)5(6)7-10-11(3,8)9/h4H,1-3H3
InChIKeyFVQCGSGINJAGOD-UHFFFAOYSA-N
XLogP1.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(1-chloro-2-methylpropylidene)amino] methanesulfonate 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

(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate
CID 59115213
[(Z)-[chloro-(4-phenylphenyl)methylidene]amino] methanesulfonate
CID 134096844
[[chloro-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methylidene]amino] methanesulfonate
CID 173075937
(C-chloro-N-methylsulfonyloxycarbonimidoyl) piperidine-1-carboxylate
CID 154458652
[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
[(E)-1-cyclopenta-2,4-dien-1-ylethylideneamino] methanesulfonate
CID 177401727
CID 58079030
CID 58079030
[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] methanesulfonate
CID 15404364
ethane;(4-methylsulfonyloxyiminopentan-2-ylideneamino) methanesulfonate;naphthalene
CID 90811602
[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
CID 23631755
[4-(4-methoxyphenyl)but-3-en-2-ylideneamino] methanesulfonate
CID 141018323
[1-(4-phenylphenyl)ethylideneamino] methanesulfonate
CID 88574998

Frequently Asked Questions

What is the IUPAC name of [(1-chloro-2-methylpropylidene)amino] methanesulfonate?
The IUPAC name of [(1-chloro-2-methylpropylidene)amino] methanesulfonate (CID 131741115) is [(1-chloro-2-methylpropylidene)amino] methanesulfonate.
What is the SMILES notation for [(1-chloro-2-methylpropylidene)amino] methanesulfonate?
The canonical SMILES for [(1-chloro-2-methylpropylidene)amino] methanesulfonate is CC(C)C(Cl)=NOS(C)(=O)=O.
What is the InChIKey of [(1-chloro-2-methylpropylidene)amino] methanesulfonate?
The InChIKey is FVQCGSGINJAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3S/c1-4(2)5(6)7-10-11(3,8)9/h4H,1-3H3.
What are the key properties of [(1-chloro-2-methylpropylidene)amino] methanesulfonate?
[(1-chloro-2-methylpropylidene)amino] methanesulfonate has a molecular weight of 199.66 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-chloro-2-methylpropylidene)amino] methanesulfonate is sourced from PubChem (CID 131741115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).