(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine

C14H22N2S — CID 164632300

IUPAC(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
SMILESc1nc(CN[C@H]2CCCC23CCCCC3)cs1
InChIInChI=1S/C14H22N2S/c1-2-6-14(7-3-1)8-4-5-13(14)15-9-12-10-17-11-16-12/h10-11,13,15H,1-9H2/t13-/m0/s1
InChIKeyFYEGHVRNRACUNU-ZDUSSCGKSA-N
MW250.41 g/mol
LogP3.74
Rot. Bonds3

About (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine

(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine (PubChem CID 164632300) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
PubChem CID164632300
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
SMILESc1nc(CN[C@H]2CCCC23CCCCC3)cs1
InChIInChI=1S/C14H22N2S/c1-2-6-14(7-3-1)8-4-5-13(14)15-9-12-10-17-11-16-12/h10-11,13,15H,1-9H2/t13-/m0/s1
InChIKeyFYEGHVRNRACUNU-ZDUSSCGKSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine?
The IUPAC name of (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine (CID 164632300) is (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine is c1nc(CN[C@H]2CCCC23CCCCC3)cs1.
What is the InChIKey of (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine?
The InChIKey is FYEGHVRNRACUNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-6-14(7-3-1)8-4-5-13(14)15-9-12-10-17-11-16-12/h10-11,13,15H,1-9H2/t13-/m0/s1.
What are the key properties of (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine?
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine has a molecular weight of 250.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine is sourced from PubChem (CID 164632300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).