3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane

C17H35N3O2S — CID 119967738

IUPAC3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H35N3O2S/c1-13(2)7-9-20(10-8-14(3)4)23(21,22)19-17-11-15-5-6-16(12-17)18-15/h13-19H,5-12H2,1-4H3
InChIKeyPVPMYBATPDJWRH-UHFFFAOYSA-N
MW345.55 g/mol
LogP2.50
Rot. Bonds9

About 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane

3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane (PubChem CID 119967738) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
PubChem CID119967738
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC Name3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H35N3O2S/c1-13(2)7-9-20(10-8-14(3)4)23(21,22)19-17-11-15-5-6-16(12-17)18-15/h13-19H,5-12H2,1-4H3
InChIKeyPVPMYBATPDJWRH-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
CID 119970554
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 119968036
1-amino-3-(dipropylsulfamoylamino)cyclobutane
CID 43597733
3-methyl-1-[3-methylbutyl(sulfamoyl)amino]butane
CID 52565324
propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
CID 114464683
(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97301302
N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83158606
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 119967715
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane (CID 119967738) is 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane is CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane?
The InChIKey is PVPMYBATPDJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-13(2)7-9-20(10-8-14(3)4)23(21,22)19-17-11-15-5-6-16(12-17)18-15/h13-19H,5-12H2,1-4H3.
What are the key properties of 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane?
3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane has a molecular weight of 345.55 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 119967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).