4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine

C14H25NO2S — CID 79912993

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCOCC1
InChIInChI=1S/C14H25NO2S/c15-14(3-1-6-16-8-4-14)12-2-7-17-13(10-12)5-9-18-11-13/h12H,1-11,15H2
InChIKeyRVRWVTSXOPGGAU-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.19
Rot. Bonds1

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine

4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine (PubChem CID 79912993) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
PubChem CID79912993
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCCOCC1
InChIInChI=1S/C14H25NO2S/c15-14(3-1-6-16-8-4-14)12-2-7-17-13(10-12)5-9-18-11-13/h12H,1-11,15H2
InChIKeyRVRWVTSXOPGGAU-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908105
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxolane-3-carboxylic acid
CID 79902944
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116603224
4-cycloheptyloxepan-4-amine
CID 82931181
3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 80692366
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine (CID 79912993) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine is NC1(C2CCOC3(CCSC3)C2)CCCOCC1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine?
The InChIKey is RVRWVTSXOPGGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c15-14(3-1-6-16-8-4-14)12-2-7-17-13(10-12)5-9-18-11-13/h12H,1-11,15H2.
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine?
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine has a molecular weight of 271.43 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine is sourced from PubChem (CID 79912993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).