N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine

C15H27NO3S — CID 79895341

IUPACN-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESO=S1(=O)CCC(NC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C15H27NO3S/c17-20(18)10-5-13(6-11-20)16-14-4-9-19-15(12-14)7-2-1-3-8-15/h13-14,16H,1-12H2
InChIKeyNVJIRXZWXGAMNK-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.04
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine

N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895341) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895341
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC NameN-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
SMILESO=S1(=O)CCC(NC2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C15H27NO3S/c17-20(18)10-5-13(6-11-20)16-14-4-9-19-15(12-14)7-2-1-3-8-15/h13-14,16H,1-12H2
InChIKeyNVJIRXZWXGAMNK-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
CID 71915372
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine (CID 79895341) is N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine is O=S1(=O)CCC(NC2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is NVJIRXZWXGAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c17-20(18)10-5-13(6-11-20)16-14-4-9-19-15(12-14)7-2-1-3-8-15/h13-14,16H,1-12H2.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine?
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 301.45 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).