3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine

C14H31N3O2S — CID 131924856

IUPAC3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)CCCN1CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)16(4)20(18,19)15(3)10-9-13-17-11-7-5-6-8-12-17/h14H,5-13H2,1-4H3
InChIKeyMNAMHGOZUKLPHM-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.77
Rot. Bonds7

About 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine

3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine (PubChem CID 131924856) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine
PubChem CID131924856
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)CCCN1CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-14(2)16(4)20(18,19)15(3)10-9-13-17-11-7-5-6-8-12-17/h14H,5-13H2,1-4H3
InChIKeyMNAMHGOZUKLPHM-UHFFFAOYSA-N
XLogP1.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine (CID 131924856) is 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine is CC(C)N(C)S(=O)(=O)N(C)CCCN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine?
The InChIKey is MNAMHGOZUKLPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-14(2)16(4)20(18,19)15(3)10-9-13-17-11-7-5-6-8-12-17/h14H,5-13H2,1-4H3.
What are the key properties of 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine?
3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-methyl-N-[methyl(propan-2-yl)sulfamoyl]propan-1-amine is sourced from PubChem (CID 131924856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).