2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine

C15H29NO3S — CID 79862414

IUPAC2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C
InChIInChI=1S/C15H29NO3S/c1-4-9-16-14-13(5-8-15(14,2)3)20(17,18)12-6-10-19-11-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeySGAJXYMLPJGJAE-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.14
Rot. Bonds5

About 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine

2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 79862414) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
PubChem CID79862414
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C
InChIInChI=1S/C15H29NO3S/c1-4-9-16-14-13(5-8-15(14,2)3)20(17,18)12-6-10-19-11-7-12/h12-14,16H,4-11H2,1-3H3
InChIKeySGAJXYMLPJGJAE-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
CID 79862616
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
2,2-dimethyl-5-(2-methylsulfonylethylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862407
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
CID 79857761
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine (CID 79862414) is 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is SGAJXYMLPJGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-4-9-16-14-13(5-8-15(14,2)3)20(17,18)12-6-10-19-11-7-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).