N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide

C11H25N3O2S — CID 54991949

IUPACN-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide
SMILESCC(CN)CN(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(9-12)10-13(2)17(15,16)14-7-5-3-4-6-8-14/h11H,3-10,12H2,1-2H3
InChIKeyOUUPCHMVFBFVIT-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide

N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide (PubChem CID 54991949) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide
PubChem CID54991949
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide
SMILESCC(CN)CN(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-11(9-12)10-13(2)17(15,16)14-7-5-3-4-6-8-14/h11H,3-10,12H2,1-2H3
InChIKeyOUUPCHMVFBFVIT-UHFFFAOYSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide (CID 54991949) is N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide is CC(CN)CN(C)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide?
The InChIKey is OUUPCHMVFBFVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(9-12)10-13(2)17(15,16)14-7-5-3-4-6-8-14/h11H,3-10,12H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide?
N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 54991949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).