CID 58998328

C11H20N2S — CID 58998328

IUPAC—
SMILES[CH]C1(N2CCN(C)CC2)CCSCC1
InChIInChI=1S/C11H20N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3
InChIKeyWOOZKMRJQSSTKV-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.21
Rot. Bonds1

About CID 58998328

CID 58998328 (PubChem CID 58998328) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol.

Molecular Properties

Compound NameCID 58998328
PubChem CID58998328
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name—
SMILES[CH]C1(N2CCN(C)CC2)CCSCC1
InChIInChI=1S/C11H20N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3
InChIKeyWOOZKMRJQSSTKV-UHFFFAOYSA-N
XLogP1.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58998328?
The IUPAC name of CID 58998328 (CID 58998328) is not available.
What is the SMILES notation for CID 58998328?
The canonical SMILES for CID 58998328 is [CH]C1(N2CCN(C)CC2)CCSCC1.
What is the InChIKey of CID 58998328?
The InChIKey is WOOZKMRJQSSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3.
What are the key properties of CID 58998328?
CID 58998328 has a molecular weight of 212.36 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998328 is sourced from PubChem (CID 58998328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).