[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride

C14H30ClN3O2S — CID 119987099

IUPAC[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
SMILESCN(CC1CC1)S(=O)(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-17(12-13-8-9-13)20(18,19)16-11-10-15-14-6-4-2-3-5-7-14;/h13-16H,2-12H2,1H3;1H
InChIKeyFVHYUGMVIRAEIY-UHFFFAOYSA-N
MW339.93 g/mol
LogP1.90
Rot. Bonds8

About [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride

[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride (PubChem CID 119987099) has the molecular formula C14H30ClN3O2S and a molecular weight of 339.93 g/mol. Its IUPAC name is [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride.

Molecular Properties

Compound Name[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
PubChem CID119987099
Molecular FormulaC14H30ClN3O2S
Molecular Weight339.93 g/mol
Exact Mass339.17
IUPAC Name[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
SMILESCN(CC1CC1)S(=O)(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-17(12-13-8-9-13)20(18,19)16-11-10-15-14-6-4-2-3-5-7-14;/h13-16H,2-12H2,1H3;1H
InChIKeyFVHYUGMVIRAEIY-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.93
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-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
CID 119987276
[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
CID 119987290
[2-aminoethylsulfamoyl(methyl)amino]methylcyclopropane;hydrochloride
CID 119959979
[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride
CID 120716511
1-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]piperazine
CID 119966185
3-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119976912
2-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine;hydrochloride
CID 119974046
N-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62575675
N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
CID 115306563
[methyl-[2-(methylamino)propylsulfamoyl]amino]methylcyclopropane
CID 120824378
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine
CID 119968280

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride?
The IUPAC name of [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride (CID 119987099) is [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride.
What is the SMILES notation for [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride?
The canonical SMILES for [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride is CN(CC1CC1)S(=O)(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride?
The InChIKey is FVHYUGMVIRAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.ClH/c1-17(12-13-8-9-13)20(18,19)16-11-10-15-14-6-4-2-3-5-7-14;/h13-16H,2-12H2,1H3;1H.
What are the key properties of [2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride?
[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride has a molecular weight of 339.93 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-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride is sourced from PubChem (CID 119987099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).