4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

C16H24N4O3S — CID 167745067

IUPAC4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(CN)C1
InChIInChI=1S/C16H24N4O3S/c1-19-8-9-20(14(10-17)11-19)16(21)12-2-6-15(7-3-12)24(22,23)18-13-4-5-13/h2-3,6-7,13-14,18H,4-5,8-11,17H2,1H3
InChIKeyMVFSIYHWFDZVBN-UHFFFAOYSA-N
MW352.46 g/mol
LogP-0.16
Rot. Bonds5

About 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 167745067) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID167745067
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(CN)C1
InChIInChI=1S/C16H24N4O3S/c1-19-8-9-20(14(10-17)11-19)16(21)12-2-6-15(7-3-12)24(22,23)18-13-4-5-13/h2-3,6-7,13-14,18H,4-5,8-11,17H2,1H3
InChIKeyMVFSIYHWFDZVBN-UHFFFAOYSA-N
XLogP-0.16
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80504994
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 154759478
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80504967
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
4-[(2S)-2-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]benzenesulfonamide
CID 166628741
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide
CID 119631538
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 167745067) is 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is CN1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is MVFSIYHWFDZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-19-8-9-20(14(10-17)11-19)16(21)12-2-6-15(7-3-12)24(22,23)18-13-4-5-13/h2-3,6-7,13-14,18H,4-5,8-11,17H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 167745067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).