3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H30N4O3S — CID 120775592

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC1N
InChIInChI=1S/C18H30N4O3S/c1-18(2)13-22(11-8-16(18)19)12-9-17(23)21-10-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,16H,7-13,19H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyZWRMMRXGOQZBCG-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.44
Rot. Bonds7

About 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 120775592) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID120775592
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC1(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC1N
InChIInChI=1S/C18H30N4O3S/c1-18(2)13-22(11-8-16(18)19)12-9-17(23)21-10-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,16H,7-13,19H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyZWRMMRXGOQZBCG-UHFFFAOYSA-N
XLogP0.44
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 56526997
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 120775592) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC1(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ZWRMMRXGOQZBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-18(2)13-22(11-8-16(18)19)12-9-17(23)21-10-7-14-3-5-15(6-4-14)26(20,24)25/h3-6,16H,7-13,19H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 382.53 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 120775592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).