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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Related Compounds

(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
CID 140959042
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide
CID 131041969
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
(3R)-5-(propan-2-ylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 71289873
(2R)-N-propan-2-ylazetidine-2-carboxamide
CID 128886462
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532767
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 167134960
3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 127783603
N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7303409
cis-(1S,2S)-2-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 167023233
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026

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).