3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine

C13H27NO2S — CID 116539636

IUPAC3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyOWSCLNXKKCYPAM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine

3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine (PubChem CID 116539636) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
PubChem CID116539636
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyOWSCLNXKKCYPAM-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
CID 116539412
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 116539626
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
N-(3-methylsulfonylpropyl)thian-4-amine
CID 61020529
N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
CID 81422987
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine (CID 116539636) is 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(CCCS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The InChIKey is OWSCLNXKKCYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).