1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine

C14H29NO2S — CID 115820359

IUPAC1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)CC1CCCCCC1
InChIInChI=1S/C14H29NO2S/c1-15-14(10-7-11-18(2,16)17)12-13-8-5-3-4-6-9-13/h13-15H,3-12H2,1-2H3
InChIKeyTVCHHTXJAYJXML-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds7

About 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine

1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine (PubChem CID 115820359) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
PubChem CID115820359
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)CC1CCCCCC1
InChIInChI=1S/C14H29NO2S/c1-15-14(10-7-11-18(2,16)17)12-13-8-5-3-4-6-9-13/h13-15H,3-12H2,1-2H3
InChIKeyTVCHHTXJAYJXML-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-cycloheptyl-N,6,6-trimethylheptan-2-amine
CID 114211051
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
1-cyclobutyl-5-methylsulfonylpentan-2-amine
CID 103168350
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
CID 114982644
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine (CID 115820359) is 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine is CNC(CCCS(C)(=O)=O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine?
The InChIKey is TVCHHTXJAYJXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-15-14(10-7-11-18(2,16)17)12-13-8-5-3-4-6-9-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine?
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 115820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).