ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide

C14H29N3OS — CID 166115079

IUPACethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC.CN1CCSC2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C12H23N3OS.C2H6/c1-13(2)11(16)15-6-4-12(5-7-15)10-14(3)8-9-17-12;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyKRTSTARESKDARB-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.21
Rot. Bonds

About ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide

ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166115079) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Nameethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID166115079
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Nameethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC.CN1CCSC2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C12H23N3OS.C2H6/c1-13(2)11(16)15-6-4-12(5-7-15)10-14(3)8-9-17-12;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyKRTSTARESKDARB-UHFFFAOYSA-N
XLogP2.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 166115079) is ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide is CC.CN1CCSC2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is KRTSTARESKDARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS.C2H6/c1-13(2)11(16)15-6-4-12(5-7-15)10-14(3)8-9-17-12;1-2/h4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide?
ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 287.47 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166115079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).