5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine

C14H29NO2S — CID 79863450

IUPAC5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCCS(=O)(=O)C1CCC(C)(C)C1NCCC
InChIInChI=1S/C14H29NO2S/c1-5-7-11-18(16,17)12-8-9-14(3,4)13(12)15-10-6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyVUSIJPISSXXUKO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds7

About 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine

5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79863450) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79863450
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCCS(=O)(=O)C1CCC(C)(C)C1NCCC
InChIInChI=1S/C14H29NO2S/c1-5-7-11-18(16,17)12-8-9-14(3,4)13(12)15-10-6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyVUSIJPISSXXUKO-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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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79863450) is 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCCS(=O)(=O)C1CCC(C)(C)C1NCCC.
What is the InChIKey of 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is VUSIJPISSXXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-7-11-18(16,17)12-8-9-14(3,4)13(12)15-10-6-2/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-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 5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79863450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).