ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane

C10H22N2S — CID 171817185

IUPACethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CN(S)C2
InChIInChI=1S/C8H16N2S.C2H6/c1-9-4-2-8(3-5-9)6-10(11)7-8;1-2/h11H,2-7H2,1H3;1-2H3
InChIKeyLBKDDGHAVFQYTD-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.88
Rot. Bonds

About ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane

ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane (PubChem CID 171817185) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
PubChem CID171817185
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Nameethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CN(S)C2
InChIInChI=1S/C8H16N2S.C2H6/c1-9-4-2-8(3-5-9)6-10(11)7-8;1-2/h11H,2-7H2,1H3;1-2H3
InChIKeyLBKDDGHAVFQYTD-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-2,7-diazaspiro[3.5]nonane
CID 10997117
2-Methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
CID 118974100
4-[(3,3-Difluoroazetidin-1-yl)methyl]-1,4-dimethylpiperidine;ethane
CID 142327084
Ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
CID 145047569
7-Methyl-2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
CID 154588570
Ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
CID 154670431
7-Ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
CID 154670432
Ethane;2-ethyl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
CID 154670870
5,5-Difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane;ethane
CID 154671168
5,5-Difluoro-2,7-dimethyl-2,7-diazaspiro[3.5]nonane
CID 154671169
5,5-Difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane
CID 154672065
5,5-Difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane
CID 154672066

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane (CID 171817185) is ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane is CC.CN1CCC2(CC1)CN(S)C2.
What is the InChIKey of ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is LBKDDGHAVFQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S.C2H6/c1-9-4-2-8(3-5-9)6-10(11)7-8;1-2/h11H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane?
ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 202.37 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171817185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).