1-(3-methylbutylsulfonyl)azepan-2-amine

C11H24N2O2S — CID 64560531

IUPAC1-(3-methylbutylsulfonyl)azepan-2-amine
SMILESCC(C)CCS(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C11H24N2O2S/c1-10(2)7-9-16(14,15)13-8-5-3-4-6-11(13)12/h10-11H,3-9,12H2,1-2H3
InChIKeyNHTPHTCVCPIPAZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.52
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)azepan-2-amine

1-(3-methylbutylsulfonyl)azepan-2-amine (PubChem CID 64560531) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)azepan-2-amine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)azepan-2-amine
PubChem CID64560531
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(3-methylbutylsulfonyl)azepan-2-amine
SMILESCC(C)CCS(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C11H24N2O2S/c1-10(2)7-9-16(14,15)13-8-5-3-4-6-11(13)12/h10-11H,3-9,12H2,1-2H3
InChIKeyNHTPHTCVCPIPAZ-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
1-methylsulfonylazepan-2-amine
CID 64560545
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
2-isocyanato-1-(3-methylbutylsulfonyl)pyrrolidine
CID 63856414
1-(cyclopropylmethylsulfonyl)piperidin-2-amine
CID 64987724
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
2-amino-N,N-diethylazepane-1-sulfonamide
CID 64560720
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
1-benzylsulfonylazepan-2-amine
CID 64560148
2-(chloromethyl)-3-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
CID 102788511

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)azepan-2-amine?
The IUPAC name of 1-(3-methylbutylsulfonyl)azepan-2-amine (CID 64560531) is 1-(3-methylbutylsulfonyl)azepan-2-amine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)azepan-2-amine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)azepan-2-amine is CC(C)CCS(=O)(=O)N1CCCCCC1N.
What is the InChIKey of 1-(3-methylbutylsulfonyl)azepan-2-amine?
The InChIKey is NHTPHTCVCPIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)7-9-16(14,15)13-8-5-3-4-6-11(13)12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)azepan-2-amine?
1-(3-methylbutylsulfonyl)azepan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)azepan-2-amine is sourced from PubChem (CID 64560531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).