N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride

C13H27ClN2S — CID 54610053

IUPACN,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCC2(CCSCC2)C1.Cl
InChIInChI=1S/C13H26N2S.ClH/c1-14(2)7-3-8-15-9-4-13(12-15)5-10-16-11-6-13;/h3-12H2,1-2H3;1H
InChIKeyGBZWWHMSSAQBGJ-UHFFFAOYSA-N
MW278.89 g/mol
LogP2.58
Rot. Bonds4

About N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride

N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride (PubChem CID 54610053) has the molecular formula C13H27ClN2S and a molecular weight of 278.89 g/mol. Its IUPAC name is N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride
PubChem CID54610053
Molecular FormulaC13H27ClN2S
Molecular Weight278.89 g/mol
Exact Mass278.16
IUPAC NameN,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCC2(CCSCC2)C1.Cl
InChIInChI=1S/C13H26N2S.ClH/c1-14(2)7-3-8-15-9-4-13(12-15)5-10-16-11-6-13;/h3-12H2,1-2H3;1H
InChIKeyGBZWWHMSSAQBGJ-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.89
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride (CID 54610053) is N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride is CN(C)CCCN1CCC2(CCSCC2)C1.Cl.
What is the InChIKey of N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride?
The InChIKey is GBZWWHMSSAQBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S.ClH/c1-14(2)7-3-8-15-9-4-13(12-15)5-10-16-11-6-13;/h3-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride?
N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride has a molecular weight of 278.89 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 54610053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).