1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane

C14H31N3O2S — CID 43598279

IUPAC1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane
SMILESCCCN(CCC)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-3-11-17(12-4-2)20(18,19)16-13-14(15)9-7-5-6-8-10-14/h16H,3-13,15H2,1-2H3
InChIKeyZOSHUKZFQXOLSM-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.99
Rot. Bonds8

About 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane

1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane (PubChem CID 43598279) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane.

Molecular Properties

Compound Name1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane
PubChem CID43598279
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane
SMILESCCCN(CCC)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-3-11-17(12-4-2)20(18,19)16-13-14(15)9-7-5-6-8-10-14/h16H,3-13,15H2,1-2H3
InChIKeyZOSHUKZFQXOLSM-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803834
1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803840
N-[[1-(dimethylamino)cycloheptyl]methyl]azepane-1-sulfonamide
CID 34249441
5-Methyl-5-(sulfinatoamino)-azacyclododecane
CID 139301763
6-Methyl-6-(sulfinatoamino)-azacyclododecane
CID 139301769
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane?
The IUPAC name of 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane (CID 43598279) is 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane.
What is the SMILES notation for 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane?
The canonical SMILES for 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane is CCCN(CCC)S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane?
The InChIKey is ZOSHUKZFQXOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-3-11-17(12-4-2)20(18,19)16-13-14(15)9-7-5-6-8-10-14/h16H,3-13,15H2,1-2H3.
What are the key properties of 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane?
1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane has a molecular weight of 305.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane is sourced from PubChem (CID 43598279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).