[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride

C13H30ClN3O2S — CID 119987290

IUPAC[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
SMILESCCN(CC)S(=O)(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C13H29N3O2S.ClH/c1-3-16(4-2)19(17,18)15-12-11-14-13-9-7-5-6-8-10-13;/h13-15H,3-12H2,1-2H3;1H
InChIKeyCXESVPNLCHYMKP-UHFFFAOYSA-N
MW327.92 g/mol
LogP1.90
Rot. Bonds8

About [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride

[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride (PubChem CID 119987290) has the molecular formula C13H30ClN3O2S and a molecular weight of 327.92 g/mol. Its IUPAC name is [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride.

Molecular Properties

Compound Name[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
PubChem CID119987290
Molecular FormulaC13H30ClN3O2S
Molecular Weight327.92 g/mol
Exact Mass327.17
IUPAC Name[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
SMILESCCN(CC)S(=O)(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C13H29N3O2S.ClH/c1-3-16(4-2)19(17,18)15-12-11-14-13-9-7-5-6-8-10-13;/h13-15H,3-12H2,1-2H3;1H
InChIKeyCXESVPNLCHYMKP-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 51.90
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

[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
CID 119987099
(diethylsulfamoylamino)cyclopentane
CID 60713674
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
CID 119987276
N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
CID 115306563
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-propylcyclohexanamine;sulfuric acid
CID 22994805
1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
CID 43653561
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
3-(cyclohexylamino)propane-1-sulfonic acid;N,N-diethylethanamine
CID 87233170

Frequently Asked Questions

What is the IUPAC name of [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride?
The IUPAC name of [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride (CID 119987290) is [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride.
What is the SMILES notation for [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride?
The canonical SMILES for [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride is CCN(CC)S(=O)(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride?
The InChIKey is CXESVPNLCHYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S.ClH/c1-3-16(4-2)19(17,18)15-12-11-14-13-9-7-5-6-8-10-13;/h13-15H,3-12H2,1-2H3;1H.
What are the key properties of [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride?
[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride has a molecular weight of 327.92 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride is sourced from PubChem (CID 119987290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).