N-propan-2-yl-1,3-dithiolane-2-carboxamide

C7H13NOS2 — CID 130718752

IUPACN-propan-2-yl-1,3-dithiolane-2-carboxamide
SMILESCC(C)NC(=O)C1SCCS1
InChIInChI=1S/C7H13NOS2/c1-5(2)8-6(9)7-10-3-4-11-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyJAPYZJHVRAONNK-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.32
Rot. Bonds2

About N-propan-2-yl-1,3-dithiolane-2-carboxamide

N-propan-2-yl-1,3-dithiolane-2-carboxamide (PubChem CID 130718752) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is N-propan-2-yl-1,3-dithiolane-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,3-dithiolane-2-carboxamide
PubChem CID130718752
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC NameN-propan-2-yl-1,3-dithiolane-2-carboxamide
SMILESCC(C)NC(=O)C1SCCS1
InChIInChI=1S/C7H13NOS2/c1-5(2)8-6(9)7-10-3-4-11-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyJAPYZJHVRAONNK-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-dithiolane-2-carboxamide?
The IUPAC name of N-propan-2-yl-1,3-dithiolane-2-carboxamide (CID 130718752) is N-propan-2-yl-1,3-dithiolane-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,3-dithiolane-2-carboxamide?
The canonical SMILES for N-propan-2-yl-1,3-dithiolane-2-carboxamide is CC(C)NC(=O)C1SCCS1.
What is the InChIKey of N-propan-2-yl-1,3-dithiolane-2-carboxamide?
The InChIKey is JAPYZJHVRAONNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-5(2)8-6(9)7-10-3-4-11-7/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-propan-2-yl-1,3-dithiolane-2-carboxamide?
N-propan-2-yl-1,3-dithiolane-2-carboxamide has a molecular weight of 191.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-dithiolane-2-carboxamide is sourced from PubChem (CID 130718752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).