2-cyclopentylsulfonylcycloheptan-1-amine

C12H23NO2S — CID 64673719

IUPAC2-cyclopentylsulfonylcycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H23NO2S/c13-11-8-2-1-3-9-12(11)16(14,15)10-6-4-5-7-10/h10-12H,1-9,13H2
InChIKeyJCKOOHUENMDAQB-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.00
Rot. Bonds2

About 2-cyclopentylsulfonylcycloheptan-1-amine

2-cyclopentylsulfonylcycloheptan-1-amine (PubChem CID 64673719) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-cyclopentylsulfonylcycloheptan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonylcycloheptan-1-amine
PubChem CID64673719
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-cyclopentylsulfonylcycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)C1CCCC1
InChIInChI=1S/C12H23NO2S/c13-11-8-2-1-3-9-12(11)16(14,15)10-6-4-5-7-10/h10-12H,1-9,13H2
InChIKeyJCKOOHUENMDAQB-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
CID 64675294
3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
CID 64904082
2-methylsulfonylcyclohexan-1-amine;hydrochloride
CID 122199419
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863453
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-cyclohexylsulfonylcyclohexane-1-carbonitrile
CID 64690197
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclopentylsulfonyl-4-phenylcyclohexan-1-amine
CID 64673532
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
2-propylsulfonylcyclohexan-1-amine
CID 64645702
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonylcycloheptan-1-amine?
The IUPAC name of 2-cyclopentylsulfonylcycloheptan-1-amine (CID 64673719) is 2-cyclopentylsulfonylcycloheptan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonylcycloheptan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonylcycloheptan-1-amine is NC1CCCCCC1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonylcycloheptan-1-amine?
The InChIKey is JCKOOHUENMDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c13-11-8-2-1-3-9-12(11)16(14,15)10-6-4-5-7-10/h10-12H,1-9,13H2.
What are the key properties of 2-cyclopentylsulfonylcycloheptan-1-amine?
2-cyclopentylsulfonylcycloheptan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonylcycloheptan-1-amine is sourced from PubChem (CID 64673719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).