N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine

C13H25NO3S — CID 79862616

IUPACN,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C
InChIInChI=1S/C13H25NO3S/c1-13(2)7-4-11(12(13)14-3)18(15,16)10-5-8-17-9-6-10/h10-12,14H,4-9H2,1-3H3
InChIKeyHYSIVWBPMKMVAD-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds3

About N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine

N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine (PubChem CID 79862616) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
PubChem CID79862616
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C
InChIInChI=1S/C13H25NO3S/c1-13(2)7-4-11(12(13)14-3)18(15,16)10-5-8-17-9-6-10/h10-12,14H,4-9H2,1-3H3
InChIKeyHYSIVWBPMKMVAD-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
CID 64716936
N,2,2-trimethyl-5-(2-methylphenyl)sulfonylcyclopentan-1-amine
CID 79862613
5-cyclohexylsulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863453
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
CID 79860805
2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
CID 64675294
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104
N,2,2-trimethyl-5-(oxolan-3-ylmethoxy)cyclopentan-1-amine
CID 79856400
2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine (CID 79862616) is N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine is CNC1C(S(=O)(=O)C2CCOCC2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine?
The InChIKey is HYSIVWBPMKMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-13(2)7-4-11(12(13)14-3)18(15,16)10-5-8-17-9-6-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine?
N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(oxan-4-ylsulfonyl)cyclopentan-1-amine is sourced from PubChem (CID 79862616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).