1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine

C16H27N3OS — CID 79910072

IUPAC1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOC3(CCSC3)C2)c1C
InChIInChI=1S/C16H27N3OS/c1-4-14(17)15-11(2)18-19(12(15)3)13-5-7-20-16(9-13)6-8-21-10-16/h13-14H,4-10,17H2,1-3H3
InChIKeyYUQNFAIYEIICBH-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.14
Rot. Bonds3

About 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine

1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 79910072) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
PubChem CID79910072
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOC3(CCSC3)C2)c1C
InChIInChI=1S/C16H27N3OS/c1-4-14(17)15-11(2)18-19(12(15)3)13-5-7-20-16(9-13)6-8-21-10-16/h13-14H,4-10,17H2,1-3H3
InChIKeyYUQNFAIYEIICBH-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine
CID 79910074
1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 63937696
3,5-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-amine
CID 79903937
4-(1-chloropropyl)-3,5-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79910588
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 62728955
5-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylic acid
CID 79919671
(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170777
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 79920387

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine (CID 79910072) is 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(C2CCOC3(CCSC3)C2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is YUQNFAIYEIICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-14(17)15-11(2)18-19(12(15)3)13-5-7-20-16(9-13)6-8-21-10-16/h13-14H,4-10,17H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine?
1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79910072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).