(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C12H19NO2S — CID 116576726

IUPAC(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C12H19NO2S/c13-12(2-3-12)10(14)9-1-5-15-11(7-9)4-6-16-8-11/h9H,1-8,13H2
InChIKeyNNQJSTSQWXYFDO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.35
Rot. Bonds2

About (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 116576726) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID116576726
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C12H19NO2S/c13-12(2-3-12)10(14)9-1-5-15-11(7-9)4-6-16-8-11/h9H,1-8,13H2
InChIKeyNNQJSTSQWXYFDO-UHFFFAOYSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116603224
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 116576726) is (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is NC1(C(=O)C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is NNQJSTSQWXYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c13-12(2-3-12)10(14)9-1-5-15-11(7-9)4-6-16-8-11/h9H,1-8,13H2.
What are the key properties of (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 241.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116576726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).