N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide

C12H26N2O2S — CID 63689180

IUPACN-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)17(15,16)14-10-12(13)8-6-4-5-7-9-12/h14H,4-10,13H2,1-3H3
InChIKeyJNULYDFNURAJCJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.76
Rot. Bonds3

About N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide

N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 63689180) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
PubChem CID63689180
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)17(15,16)14-10-12(13)8-6-4-5-7-9-12/h14H,4-10,13H2,1-3H3
InChIKeyJNULYDFNURAJCJ-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide (CID 63689180) is N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is JNULYDFNURAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2,3)17(15,16)14-10-12(13)8-6-4-5-7-9-12/h14H,4-10,13H2,1-3H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).