N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine

C14H27NOS — CID 103930710

IUPACN-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine
SMILESCSC1CCC(NC2CCOC(C(C)C)C2)C1
InChIInChI=1S/C14H27NOS/c1-10(2)14-9-12(6-7-16-14)15-11-4-5-13(8-11)17-3/h10-15H,4-9H2,1-3H3
InChIKeyXUWQUBKIMQTKGA-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.06
Rot. Bonds4

About N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine

N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine (PubChem CID 103930710) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine
PubChem CID103930710
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine
SMILESCSC1CCC(NC2CCOC(C(C)C)C2)C1
InChIInChI=1S/C14H27NOS/c1-10(2)14-9-12(6-7-16-14)15-11-4-5-13(8-11)17-3/h10-15H,4-9H2,1-3H3
InChIKeyXUWQUBKIMQTKGA-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
CID 115888210
2-methyl-N-(3-methylsulfanylcyclopentyl)oxolan-3-amine
CID 115751431
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine
CID 115724680
[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
CID 103930700
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
N-(1-cyclopropylethyl)-3-methylsulfanylcyclopentan-1-amine
CID 115677390
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]-1-propan-2-ylpiperidin-4-amine
CID 97349413
(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
CID 104980788
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
CID 103827747

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine (CID 103930710) is N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine is CSC1CCC(NC2CCOC(C(C)C)C2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine?
The InChIKey is XUWQUBKIMQTKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-10(2)14-9-12(6-7-16-14)15-11-4-5-13(8-11)17-3/h10-15H,4-9H2,1-3H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine?
N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine has a molecular weight of 257.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 103930710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).