2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide

C18H30N4O2S2 — CID 140731714

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide
SMILESCC1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)S1
InChIInChI=1S/C18H30N4O2S2/c1-10-21-22-18(26-10)20-16(24)14-6-7-25-17(14)19-15(23)13-8-11-4-2-3-5-12(11)9-13/h10-14,17-18,21-22H,2-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyMSFBOABKZQQLJD-UHFFFAOYSA-N
MW398.60 g/mol
LogP1.99
Rot. Bonds4

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide (PubChem CID 140731714) has the molecular formula C18H30N4O2S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide
PubChem CID140731714
Molecular FormulaC18H30N4O2S2
Molecular Weight398.60 g/mol
Exact Mass398.18
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide
SMILESCC1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)S1
InChIInChI=1S/C18H30N4O2S2/c1-10-21-22-18(26-10)20-16(24)14-6-7-25-17(14)19-15(23)13-8-11-4-2-3-5-12(11)9-13/h10-14,17-18,21-22H,2-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyMSFBOABKZQQLJD-UHFFFAOYSA-N
XLogP1.99
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide (CID 140731714) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide is CC1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)S1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide?
The InChIKey is MSFBOABKZQQLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S2/c1-10-21-22-18(26-10)20-16(24)14-6-7-25-17(14)19-15(23)13-8-11-4-2-3-5-12(11)9-13/h10-14,17-18,21-22H,2-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-methyl-1,3,4-thiadiazolidin-2-yl)thiolane-3-carboxamide is sourced from PubChem (CID 140731714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).