CID 58878991

C9H18N2O2S — CID 58878991

IUPAC—
SMILES[CH]CNS(=O)(=O)CCN(CC)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-3-10-14(12,13)8-7-11(4-2)9-5-6-9/h1,9-10H,3-8H2,2H3
InChIKeyNDRSSHSFAFATMK-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.10
Rot. Bonds7

About CID 58878991

CID 58878991 (PubChem CID 58878991) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol.

Molecular Properties

Compound NameCID 58878991
PubChem CID58878991
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name—
SMILES[CH]CNS(=O)(=O)CCN(CC)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-3-10-14(12,13)8-7-11(4-2)9-5-6-9/h1,9-10H,3-8H2,2H3
InChIKeyNDRSSHSFAFATMK-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58878991?
The IUPAC name of CID 58878991 (CID 58878991) is not available.
What is the SMILES notation for CID 58878991?
The canonical SMILES for CID 58878991 is [CH]CNS(=O)(=O)CCN(CC)C1CC1.
What is the InChIKey of CID 58878991?
The InChIKey is NDRSSHSFAFATMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-10-14(12,13)8-7-11(4-2)9-5-6-9/h1,9-10H,3-8H2,2H3.
What are the key properties of CID 58878991?
CID 58878991 has a molecular weight of 218.32 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58878991 is sourced from PubChem (CID 58878991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).