CID 10538595

C10H21N2O3S — CID 10538595

IUPAC—
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1[O]
InChIInChI=1S/C10H21N2O3S/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13/h8,11H,6-7H2,1-5H3
InChIKeyAPSIYPXTNSNMLB-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.90
Rot. Bonds2

About CID 10538595

CID 10538595 (PubChem CID 10538595) has the molecular formula C10H21N2O3S and a molecular weight of 249.36 g/mol.

Molecular Properties

Compound NameCID 10538595
PubChem CID10538595
Molecular FormulaC10H21N2O3S
Molecular Weight249.36 g/mol
Exact Mass249.13
IUPAC Name—
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1[O]
InChIInChI=1S/C10H21N2O3S/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13/h8,11H,6-7H2,1-5H3
InChIKeyAPSIYPXTNSNMLB-UHFFFAOYSA-N
XLogP0.90
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10538595?
The IUPAC name of CID 10538595 (CID 10538595) is not available.
What is the SMILES notation for CID 10538595?
The canonical SMILES for CID 10538595 is CC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1[O].
What is the InChIKey of CID 10538595?
The InChIKey is APSIYPXTNSNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O3S/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13/h8,11H,6-7H2,1-5H3.
What are the key properties of CID 10538595?
CID 10538595 has a molecular weight of 249.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10538595 is sourced from PubChem (CID 10538595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).