N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide

C16H31N3O3S — CID 56805712

IUPACN-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCCC(CS(N)(=O)=O)C2)C1C
InChIInChI=1S/C16H31N3O3S/c1-12-5-3-7-15(13(12)2)18-16(20)10-19-8-4-6-14(9-19)11-23(17,21)22/h12-15H,3-11H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyUJWTYPQIZQEWFF-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.93
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide

N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide (PubChem CID 56805712) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
PubChem CID56805712
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCCC(CS(N)(=O)=O)C2)C1C
InChIInChI=1S/C16H31N3O3S/c1-12-5-3-7-15(13(12)2)18-16(20)10-19-8-4-6-14(9-19)11-23(17,21)22/h12-15H,3-11H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyUJWTYPQIZQEWFF-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 81497201
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(3S)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 124742724
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 11932212
2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95310652
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide (CID 56805712) is N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide is CC1CCCC(NC(=O)CN2CCCC(CS(N)(=O)=O)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide?
The InChIKey is UJWTYPQIZQEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-12-5-3-7-15(13(12)2)18-16(20)10-19-8-4-6-14(9-19)11-23(17,21)22/h12-15H,3-11H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide has a molecular weight of 345.51 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56805712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).