2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride

C11H25ClN2O2S — CID 120858030

IUPAC2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCCC(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-11(2,12)9-13-7-5-4-6-10(8-13)16(3,14)15;/h10H,4-9,12H2,1-3H3;1H
InChIKeyXLSZFYHLIHTGBY-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride

2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride (PubChem CID 120858030) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
PubChem CID120858030
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCCC(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-11(2,12)9-13-7-5-4-6-10(8-13)16(3,14)15;/h10H,4-9,12H2,1-3H3;1H
InChIKeyXLSZFYHLIHTGBY-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
CID 130715172
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
CID 120858500
1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120856496
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
1-(cyclopentylmethyl)-3-methylsulfonylpyrrolidine
CID 121183164
1-tert-butyl-3-methylsulfonylpiperidine
CID 59640673
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpropan-2-amine
CID 63151224
3-(3-methylsulfonylpiperidin-1-yl)propanenitrile
CID 130617291
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride (CID 120858030) is 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride is CC(C)(N)CN1CCCCC(S(C)(=O)=O)C1.Cl.
What is the InChIKey of 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride?
The InChIKey is XLSZFYHLIHTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-11(2,12)9-13-7-5-4-6-10(8-13)16(3,14)15;/h10H,4-9,12H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride?
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 120858030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).