N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine

C12H25NS — CID 129121429

IUPACN-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
SMILESCCNC1CCS2(CCCCC2)CC1
InChIInChI=1S/C12H25NS/c1-2-13-12-6-10-14(11-7-12)8-4-3-5-9-14/h12-13H,2-11H2,1H3
InChIKeyNIHVYNBGNUQVOI-UHFFFAOYSA-N
MW215.41 g/mol
LogP2.75
Rot. Bonds2

About N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine

N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine (PubChem CID 129121429) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine.

Molecular Properties

Compound NameN-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
PubChem CID129121429
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
SMILESCCNC1CCS2(CCCCC2)CC1
InChIInChI=1S/C12H25NS/c1-2-13-12-6-10-14(11-7-12)8-4-3-5-9-14/h12-13H,2-11H2,1H3
InChIKeyNIHVYNBGNUQVOI-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine?
The IUPAC name of N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine (CID 129121429) is N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine.
What is the SMILES notation for N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine?
The canonical SMILES for N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine is CCNC1CCS2(CCCCC2)CC1.
What is the InChIKey of N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine?
The InChIKey is NIHVYNBGNUQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-2-13-12-6-10-14(11-7-12)8-4-3-5-9-14/h12-13H,2-11H2,1H3.
What are the key properties of N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine?
N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine has a molecular weight of 215.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine is sourced from PubChem (CID 129121429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).