N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide

C13H19N3O2S — CID 169107036

IUPACN-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(S(C)=O)CC1)c1ccccc1
InChIInChI=1S/C13H19N3O2S/c1-14(12-6-4-3-5-7-12)13(17)15-8-10-16(11-9-15)19(2)18/h3-7H,8-11H2,1-2H3
InChIKeyHKSKFYVNGQCQFY-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.15
Rot. Bonds2

About N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide

N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide (PubChem CID 169107036) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
PubChem CID169107036
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(S(C)=O)CC1)c1ccccc1
InChIInChI=1S/C13H19N3O2S/c1-14(12-6-4-3-5-7-12)13(17)15-8-10-16(11-9-15)19(2)18/h3-7H,8-11H2,1-2H3
InChIKeyHKSKFYVNGQCQFY-UHFFFAOYSA-N
XLogP1.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide
CID 11107463
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide (CID 169107036) is N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide is CN(C(=O)N1CCN(S(C)=O)CC1)c1ccccc1.
What is the InChIKey of N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is HKSKFYVNGQCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-14(12-6-4-3-5-7-12)13(17)15-8-10-16(11-9-15)19(2)18/h3-7H,8-11H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide?
N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfinyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 169107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).