1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane

C13H29N3O2S — CID 51080469

IUPAC1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane
SMILESCCCCN(C)S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H29N3O2S/c1-5-6-11-16(4)19(17,18)14-12-13(15(2)3)9-7-8-10-13/h14H,5-12H2,1-4H3
InChIKeyLTOPIDZXSCWJJN-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.43
Rot. Bonds8

About 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane (PubChem CID 51080469) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane
PubChem CID51080469
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane
SMILESCCCCN(C)S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H29N3O2S/c1-5-6-11-16(4)19(17,18)14-12-13(15(2)3)9-7-8-10-13/h14H,5-12H2,1-4H3
InChIKeyLTOPIDZXSCWJJN-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane (CID 51080469) is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane is CCCCN(C)S(=O)(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane?
The InChIKey is LTOPIDZXSCWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-6-11-16(4)19(17,18)14-12-13(15(2)3)9-7-8-10-13/h14H,5-12H2,1-4H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane?
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane has a molecular weight of 291.46 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-(dimethylamino)cyclopentane is sourced from PubChem (CID 51080469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).