N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine

C15H27NOS — CID 86811515

IUPACN-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NC1CCCSC1)CCO2
InChIInChI=1S/C15H27NOS/c1-2-7-15(8-3-1)11-13(6-9-17-15)16-14-5-4-10-18-12-14/h13-14,16H,1-12H2
InChIKeyXSBWOHONZAQMMA-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.35
Rot. Bonds2

About N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine

N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 86811515) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID86811515
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC NameN-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NC1CCCSC1)CCO2
InChIInChI=1S/C15H27NOS/c1-2-7-15(8-3-1)11-13(6-9-17-15)16-14-5-4-10-18-12-14/h13-14,16H,1-12H2
InChIKeyXSBWOHONZAQMMA-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-spiro[4.5]decan-8-ylthian-3-amine
CID 114817932
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
2-methyl-N-(thian-3-yl)oxan-4-amine
CID 115898568
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine (CID 86811515) is N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine is C1CCC2(CC1)CC(NC1CCCSC1)CCO2.
What is the InChIKey of N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is XSBWOHONZAQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-2-7-15(8-3-1)11-13(6-9-17-15)16-14-5-4-10-18-12-14/h13-14,16H,1-12H2.
What are the key properties of N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine?
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 269.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 86811515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).