1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene

C14H22N2O3S — CID 110781232

IUPAC1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
SMILESCN(C)S(=O)(=O)NCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-11-12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeyKWASPCCAVAXQJQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.90
Rot. Bonds6

About 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene

1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene (PubChem CID 110781232) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
PubChem CID110781232
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
SMILESCN(C)S(=O)(=O)NCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-11-12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3
InChIKeyKWASPCCAVAXQJQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971373
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
CID 112513393
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene?
The IUPAC name of 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene (CID 110781232) is 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene?
The canonical SMILES for 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene is CN(C)S(=O)(=O)NCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene?
The InChIKey is KWASPCCAVAXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(2)20(17,18)15-11-12-7-9-14(10-8-12)19-13-5-3-4-6-13/h7-10,13,15H,3-6,11H2,1-2H3.
What are the key properties of 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene?
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene has a molecular weight of 298.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene is sourced from PubChem (CID 110781232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).