N-butyl-N-methyl-N'-methylsulfonylethanimidamide

C8H18N2O2S — CID 142943825

IUPACN-butyl-N-methyl-N'-methylsulfonylethanimidamide
SMILESCCCCN(C)/C(C)=N\S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-5-6-7-10(3)8(2)9-13(4,11)12/h5-7H2,1-4H3/b9-8-
InChIKeyFERUJDQWFSMFHJ-HJWRWDBZSA-N
MW206.31 g/mol
LogP1.10
Rot. Bonds4

About N-butyl-N-methyl-N'-methylsulfonylethanimidamide

N-butyl-N-methyl-N'-methylsulfonylethanimidamide (PubChem CID 142943825) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-butyl-N-methyl-N'-methylsulfonylethanimidamide.

Molecular Properties

Compound NameN-butyl-N-methyl-N'-methylsulfonylethanimidamide
PubChem CID142943825
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-butyl-N-methyl-N'-methylsulfonylethanimidamide
SMILESCCCCN(C)/C(C)=N\S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-5-6-7-10(3)8(2)9-13(4,11)12/h5-7H2,1-4H3/b9-8-
InChIKeyFERUJDQWFSMFHJ-HJWRWDBZSA-N
XLogP1.10
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
CID 58158830
(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 58717240
(2Z)-3,4-dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide
CID 59562142
3,4-Dimethyl-5,6,7,8-tetrahydro-1,2,4-thiadiazocine 1,1-dioxide
CID 72326732
N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 72400144
(NZ)-N-(1-piperidin-1-ylethylidene)methanesulfonamide
CID 142943744
(NE)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
CID 142943748
methane;N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
CID 160026644

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-N'-methylsulfonylethanimidamide?
The IUPAC name of N-butyl-N-methyl-N'-methylsulfonylethanimidamide (CID 142943825) is N-butyl-N-methyl-N'-methylsulfonylethanimidamide.
What is the SMILES notation for N-butyl-N-methyl-N'-methylsulfonylethanimidamide?
The canonical SMILES for N-butyl-N-methyl-N'-methylsulfonylethanimidamide is CCCCN(C)/C(C)=N\S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-N'-methylsulfonylethanimidamide?
The InChIKey is FERUJDQWFSMFHJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-5-6-7-10(3)8(2)9-13(4,11)12/h5-7H2,1-4H3/b9-8-.
What are the key properties of N-butyl-N-methyl-N'-methylsulfonylethanimidamide?
N-butyl-N-methyl-N'-methylsulfonylethanimidamide has a molecular weight of 206.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-N'-methylsulfonylethanimidamide is sourced from PubChem (CID 142943825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).