6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride

C17H28ClN3O2S — CID 120722191

IUPAC6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-20(15-7-3-2-4-8-15)23(21,22)19-17-9-5-6-13-12-14(18)10-11-16(13)17;/h10-12,15,17,19H,2-9,18H2,1H3;1H
InChIKeyVRDVZMYCVLVXTA-UHFFFAOYSA-N
MW373.95 g/mol
LogP3.17
Rot. Bonds4

About 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride

6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride (PubChem CID 120722191) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride.

Molecular Properties

Compound Name6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
PubChem CID120722191
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC Name6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C17H27N3O2S.ClH/c1-20(15-7-3-2-4-8-15)23(21,22)19-17-9-5-6-13-12-14(18)10-11-16(13)17;/h10-12,15,17,19H,2-9,18H2,1H3;1H
InChIKeyVRDVZMYCVLVXTA-UHFFFAOYSA-N
XLogP3.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722001
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 120722000
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 116650211
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120722385
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The IUPAC name of 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride (CID 120722191) is 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride.
What is the SMILES notation for 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The canonical SMILES for 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride is CN(C1CCCCC1)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl.
What is the InChIKey of 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The InChIKey is VRDVZMYCVLVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.ClH/c1-20(15-7-3-2-4-8-15)23(21,22)19-17-9-5-6-13-12-14(18)10-11-16(13)17;/h10-12,15,17,19H,2-9,18H2,1H3;1H.
What are the key properties of 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride has a molecular weight of 373.95 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride is sourced from PubChem (CID 120722191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).