N-(propyliminomethylidene)methanesulfonamide

C5H10N2O2S — CID 119096603

IUPACN-(propyliminomethylidene)methanesulfonamide
SMILESCCCN=C=NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-4-6-5-7-10(2,8)9/h3-4H2,1-2H3
InChIKeyMDOWKEMUHSYLLZ-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.53
Rot. Bonds3

About N-(propyliminomethylidene)methanesulfonamide

N-(propyliminomethylidene)methanesulfonamide (PubChem CID 119096603) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N-(propyliminomethylidene)methanesulfonamide.

Molecular Properties

Compound NameN-(propyliminomethylidene)methanesulfonamide
PubChem CID119096603
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN-(propyliminomethylidene)methanesulfonamide
SMILESCCCN=C=NS(C)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-3-4-6-5-7-10(2,8)9/h3-4H2,1-2H3
InChIKeyMDOWKEMUHSYLLZ-UHFFFAOYSA-N
XLogP0.53
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipropylmethanediimine
CID 12725951
N-methyl-N'-propylmethanediimine
CID 18695318
N'-pentyl-N-propylmethanediimine
CID 88904849
N-(propyliminomethylideneamino)methanamine
CID 176541672
ethene;N-methyl-N-(propyliminomethylideneamino)methanamine
CID 174595552
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
N,N'-dioctadecylmethanediimine
CID 10918627
1,1-bis(methylsulfonyl)propane
CID 19348890
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N-propylhexa-1,3-dien-1-imine
CID 173251675
N-[1-(ethyliminomethylideneamino)propyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 87084347
diethyl(diisocyanato)-λ4-sulfane
CID 87239482

Frequently Asked Questions

What is the IUPAC name of N-(propyliminomethylidene)methanesulfonamide?
The IUPAC name of N-(propyliminomethylidene)methanesulfonamide (CID 119096603) is N-(propyliminomethylidene)methanesulfonamide.
What is the SMILES notation for N-(propyliminomethylidene)methanesulfonamide?
The canonical SMILES for N-(propyliminomethylidene)methanesulfonamide is CCCN=C=NS(C)(=O)=O.
What is the InChIKey of N-(propyliminomethylidene)methanesulfonamide?
The InChIKey is MDOWKEMUHSYLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-4-6-5-7-10(2,8)9/h3-4H2,1-2H3.
What are the key properties of N-(propyliminomethylidene)methanesulfonamide?
N-(propyliminomethylidene)methanesulfonamide has a molecular weight of 162.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propyliminomethylidene)methanesulfonamide is sourced from PubChem (CID 119096603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).