N-propyl-2-propylsulfonylcyclooctan-1-amine

C14H29NO2S — CID 64644715

IUPACN-propyl-2-propylsulfonylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1S(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-3-11-15-13-9-7-5-6-8-10-14(13)18(16,17)12-4-2/h13-15H,3-12H2,1-2H3
InChIKeyVLCLZRUTFLEHPJ-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.90
Rot. Bonds6

About N-propyl-2-propylsulfonylcyclooctan-1-amine

N-propyl-2-propylsulfonylcyclooctan-1-amine (PubChem CID 64644715) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-propyl-2-propylsulfonylcyclooctan-1-amine.

Molecular Properties

Compound NameN-propyl-2-propylsulfonylcyclooctan-1-amine
PubChem CID64644715
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-propyl-2-propylsulfonylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1S(=O)(=O)CCC
InChIInChI=1S/C14H29NO2S/c1-3-11-15-13-9-7-5-6-8-10-14(13)18(16,17)12-4-2/h13-15H,3-12H2,1-2H3
InChIKeyVLCLZRUTFLEHPJ-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine
CID 64676253
methyl 3-[2-(propylamino)cycloheptyl]sulfonylpropanoate
CID 64675556
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 107759062
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
2-(cyclopentylmethylsulfonyl)-N-ethylcyclooctan-1-amine
CID 64676103
N-propylcyclohexanamine;sulfuric acid
CID 22994805
2-propylsulfonylcyclohexan-1-amine
CID 64645702
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
2-propylsulfonylcyclopentan-1-amine
CID 64646493

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-propylsulfonylcyclooctan-1-amine?
The IUPAC name of N-propyl-2-propylsulfonylcyclooctan-1-amine (CID 64644715) is N-propyl-2-propylsulfonylcyclooctan-1-amine.
What is the SMILES notation for N-propyl-2-propylsulfonylcyclooctan-1-amine?
The canonical SMILES for N-propyl-2-propylsulfonylcyclooctan-1-amine is CCCNC1CCCCCCC1S(=O)(=O)CCC.
What is the InChIKey of N-propyl-2-propylsulfonylcyclooctan-1-amine?
The InChIKey is VLCLZRUTFLEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-11-15-13-9-7-5-6-8-10-14(13)18(16,17)12-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-propyl-2-propylsulfonylcyclooctan-1-amine?
N-propyl-2-propylsulfonylcyclooctan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-propylsulfonylcyclooctan-1-amine is sourced from PubChem (CID 64644715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).