2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane

C14H29N3O2S — CID 106070981

IUPAC2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCN(CCCNC1CC1)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)9-4-6-13(14)16-20(18,19)17(3)11-5-10-15-12-7-8-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYOVYNINXQHOEDW-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.47
Rot. Bonds8

About 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane

2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane (PubChem CID 106070981) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
PubChem CID106070981
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCN(CCCNC1CC1)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)9-4-6-13(14)16-20(18,19)17(3)11-5-10-15-12-7-8-12/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYOVYNINXQHOEDW-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
3-[[(1R)-2,2-dimethylcyclohexyl]amino]-N,N-dimethylpropane-1-sulfonamide
CID 99580682
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The IUPAC name of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane (CID 106070981) is 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane.
What is the SMILES notation for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The canonical SMILES for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane is CN(CCCNC1CC1)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The InChIKey is YOVYNINXQHOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2)9-4-6-13(14)16-20(18,19)17(3)11-5-10-15-12-7-8-12/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane has a molecular weight of 303.47 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane is sourced from PubChem (CID 106070981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).