1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane

C14H29N3O2S — CID 114803852

IUPAC1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-17(20(18,19)16-13-7-8-13)14(12-15)9-5-3-4-6-10-14/h13,16H,2-12,15H2,1H3
InChIKeyYNMKAHLMECZRRH-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.75
Rot. Bonds7

About 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane

1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane (PubChem CID 114803852) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
PubChem CID114803852
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-17(20(18,19)16-13-7-8-13)14(12-15)9-5-3-4-6-10-14/h13,16H,2-12,15H2,1H3
InChIKeyYNMKAHLMECZRRH-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803840
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
N-[1-(aminomethyl)cycloheptyl]pyrrolidine-1-sulfonamide
CID 28940656
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
1-(Aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
CID 28940666
1-[(Diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
N-[1-(aminomethyl)cycloheptyl]-2-methylpiperidine-1-sulfonamide
CID 43119821
N-[1-(aminomethyl)cycloheptyl]-3-methylpiperidine-1-sulfonamide
CID 43119822
1-Amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane
CID 43598278
1-Amino-1-[(dipropylsulfamoylamino)methyl]cycloheptane
CID 43598279

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane (CID 114803852) is 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane is CCCN(C1(CN)CCCCCC1)S(=O)(=O)NC1CC1.
What is the InChIKey of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane?
The InChIKey is YNMKAHLMECZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-11-17(20(18,19)16-13-7-8-13)14(12-15)9-5-3-4-6-10-14/h13,16H,2-12,15H2,1H3.
What are the key properties of 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane?
1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane has a molecular weight of 303.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane is sourced from PubChem (CID 114803852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).