N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide

C12H16N2O3S — CID 129163611

IUPACN-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1cc(N)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C12H16N2O3S/c1-14(8-15)7-9-6-10(13)2-5-12(9)18(16,17)11-3-4-11/h2,5-6,8,11H,3-4,7,13H2,1H3
InChIKeyRGSQVJDSUNXPRQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.79
Rot. Bonds5

About N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide

N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide (PubChem CID 129163611) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide
PubChem CID129163611
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1cc(N)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C12H16N2O3S/c1-14(8-15)7-9-6-10(13)2-5-12(9)18(16,17)11-3-4-11/h2,5-6,8,11H,3-4,7,13H2,1H3
InChIKeyRGSQVJDSUNXPRQ-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5-amino-2-cyclopropylsulfonylphenyl)methyl-methylamino] benzoate
CID 163473690
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
5-bromo-2-(4-ethylcyclohexyl)sulfonylaniline
CID 81184103
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
CID 81190873
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine
CID 117489402
1-cyclopentylsulfonyl-2,3,4-triethylbenzene
CID 150568568

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide?
The IUPAC name of N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide (CID 129163611) is N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide?
The canonical SMILES for N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide is CN(C=O)Cc1cc(N)ccc1S(=O)(=O)C1CC1.
What is the InChIKey of N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide?
The InChIKey is RGSQVJDSUNXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-14(8-15)7-9-6-10(13)2-5-12(9)18(16,17)11-3-4-11/h2,5-6,8,11H,3-4,7,13H2,1H3.
What are the key properties of N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide?
N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide has a molecular weight of 268.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-cyclopropylsulfonylphenyl)methyl]-N-methylformamide is sourced from PubChem (CID 129163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).