7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine

C14H29N3O2S — CID 173232761

IUPAC7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine
SMILESCS(=O)(=O)N1CCCCC1CCC1CCCCC(N)N1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-4-7-13(17)10-9-12-6-2-3-8-14(15)16-12/h12-14,16H,2-11,15H2,1H3
InChIKeyCYKIROAYRGRBKD-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.40
Rot. Bonds4

About 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine

7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine (PubChem CID 173232761) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine.

Molecular Properties

Compound Name7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine
PubChem CID173232761
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine
SMILESCS(=O)(=O)N1CCCCC1CCC1CCCCC(N)N1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-4-7-13(17)10-9-12-6-2-3-8-14(15)16-12/h12-14,16H,2-11,15H2,1H3
InChIKeyCYKIROAYRGRBKD-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
1-methylsulfonylazepan-2-amine
CID 64560545
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
CID 18661066
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
1-methylsulfonylpiperidine-2-carbaldehyde
CID 63845011
2-(2-hydroxyethyl)piperidine-1-sulfonamide
CID 112689810
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
1-methylsulfonylpyrrolidin-2-amine;hydrochloride
CID 66846501

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine?
The IUPAC name of 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine (CID 173232761) is 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine.
What is the SMILES notation for 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine?
The canonical SMILES for 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine is CS(=O)(=O)N1CCCCC1CCC1CCCCC(N)N1.
What is the InChIKey of 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine?
The InChIKey is CYKIROAYRGRBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-4-7-13(17)10-9-12-6-2-3-8-14(15)16-12/h12-14,16H,2-11,15H2,1H3.
What are the key properties of 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine?
7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]azepan-2-amine is sourced from PubChem (CID 173232761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).