N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide

C12H26N2O2S — CID 62007829

IUPACN-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-10-17(15,16)14(2)12(11-13)8-6-4-5-7-9-12/h3-11,13H2,1-2H3
InChIKeyDNEJANFSWAXJQS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds5

About N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide (PubChem CID 62007829) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide
PubChem CID62007829
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-3-10-17(15,16)14(2)12(11-13)8-6-4-5-7-9-12/h3-11,13H2,1-2H3
InChIKeyDNEJANFSWAXJQS-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide (CID 62007829) is N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide?
The InChIKey is DNEJANFSWAXJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-10-17(15,16)14(2)12(11-13)8-6-4-5-7-9-12/h3-11,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 62007829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).