N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid

C14H29N3O5S — CID 154913579

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
SMILESCN(C)C1(CNC(=O)CCCS(N)(=O)=O)CCCCC1.O=CO
InChIInChI=1S/C13H27N3O3S.CH2O2/c1-16(2)13(8-4-3-5-9-13)11-15-12(17)7-6-10-20(14,18)19;2-1-3/h3-11H2,1-2H3,(H,15,17)(H2,14,18,19);1H,(H,2,3)
InChIKeyCXDRGRQFFHETPM-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.14
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid (PubChem CID 154913579) has the molecular formula C14H29N3O5S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
PubChem CID154913579
Molecular FormulaC14H29N3O5S
Molecular Weight351.47 g/mol
Exact Mass351.18
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid
SMILESCN(C)C1(CNC(=O)CCCS(N)(=O)=O)CCCCC1.O=CO
InChIInChI=1S/C13H27N3O3S.CH2O2/c1-16(2)13(8-4-3-5-9-13)11-15-12(17)7-6-10-20(14,18)19;2-1-3/h3-11H2,1-2H3,(H,15,17)(H2,14,18,19);1H,(H,2,3)
InChIKeyCXDRGRQFFHETPM-UHFFFAOYSA-N
XLogP0.14
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid (CID 154913579) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid is CN(C)C1(CNC(=O)CCCS(N)(=O)=O)CCCCC1.O=CO.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid?
The InChIKey is CXDRGRQFFHETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S.CH2O2/c1-16(2)13(8-4-3-5-9-13)11-15-12(17)7-6-10-20(14,18)19;2-1-3/h3-11H2,1-2H3,(H,15,17)(H2,14,18,19);1H,(H,2,3).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid has a molecular weight of 351.47 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-sulfamoylbutanamide;formic acid is sourced from PubChem (CID 154913579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).