1-methylsulfonylazepan-2-amine

C7H16N2O2S — CID 64560545

IUPAC1-methylsulfonylazepan-2-amine
SMILESCS(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-4-2-3-5-7(9)8/h7H,2-6,8H2,1H3
InChIKeyPUJVHEAIWYHSNO-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.11
Rot. Bonds1

About 1-methylsulfonylazepan-2-amine

1-methylsulfonylazepan-2-amine (PubChem CID 64560545) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-methylsulfonylazepan-2-amine.

Molecular Properties

Compound Name1-methylsulfonylazepan-2-amine
PubChem CID64560545
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-methylsulfonylazepan-2-amine
SMILESCS(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-6-4-2-3-5-7(9)8/h7H,2-6,8H2,1H3
InChIKeyPUJVHEAIWYHSNO-UHFFFAOYSA-N
XLogP0.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylpyrrolidin-2-amine;hydrochloride
CID 66846501
2-amino-N,N-diethylazepane-1-sulfonamide
CID 64560720
1-(3-methylbutylsulfonyl)azepan-2-amine
CID 64560531
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-pyrrolidin-1-ylsulfonylpyrrolidin-2-amine
CID 43210458
1-(cyclopropylmethylsulfonyl)piperidin-2-amine
CID 64987724
1-methylsulfonylpiperidine-2-carbaldehyde
CID 63845011
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510
1-benzylsulfonylazepan-2-amine
CID 64560148
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]azepan-2-amine
CID 64560534

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylazepan-2-amine?
The IUPAC name of 1-methylsulfonylazepan-2-amine (CID 64560545) is 1-methylsulfonylazepan-2-amine.
What is the SMILES notation for 1-methylsulfonylazepan-2-amine?
The canonical SMILES for 1-methylsulfonylazepan-2-amine is CS(=O)(=O)N1CCCCCC1N.
What is the InChIKey of 1-methylsulfonylazepan-2-amine?
The InChIKey is PUJVHEAIWYHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-4-2-3-5-7(9)8/h7H,2-6,8H2,1H3.
What are the key properties of 1-methylsulfonylazepan-2-amine?
1-methylsulfonylazepan-2-amine has a molecular weight of 192.28 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylazepan-2-amine is sourced from PubChem (CID 64560545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).