N-[3-[(R)-methylsulfinyl]propyl]methanethioamide

C5H11NOS2 — CID 162639628

IUPACN-[3-[(R)-methylsulfinyl]propyl]methanethioamide
SMILESC[S@@](=O)CCCNC=S
InChIInChI=1S/C5H11NOS2/c1-9(7)4-2-3-6-5-8/h5H,2-4H2,1H3,(H,6,8)/t9-/m1/s1
InChIKeyXDJBLMRZASQLDO-SECBINFHSA-N
MW165.28 g/mol
LogP0.30
Rot. Bonds5

About N-[3-[(R)-methylsulfinyl]propyl]methanethioamide

N-[3-[(R)-methylsulfinyl]propyl]methanethioamide (PubChem CID 162639628) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[3-[(R)-methylsulfinyl]propyl]methanethioamide.

Molecular Properties

Compound NameN-[3-[(R)-methylsulfinyl]propyl]methanethioamide
PubChem CID162639628
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC NameN-[3-[(R)-methylsulfinyl]propyl]methanethioamide
SMILESC[S@@](=O)CCCNC=S
InChIInChI=1S/C5H11NOS2/c1-9(7)4-2-3-6-5-8/h5H,2-4H2,1H3,(H,6,8)/t9-/m1/s1
InChIKeyXDJBLMRZASQLDO-SECBINFHSA-N
XLogP0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-methylsulfinyl]propyl]methanethioamide?
The IUPAC name of N-[3-[(R)-methylsulfinyl]propyl]methanethioamide (CID 162639628) is N-[3-[(R)-methylsulfinyl]propyl]methanethioamide.
What is the SMILES notation for N-[3-[(R)-methylsulfinyl]propyl]methanethioamide?
The canonical SMILES for N-[3-[(R)-methylsulfinyl]propyl]methanethioamide is C[S@@](=O)CCCNC=S.
What is the InChIKey of N-[3-[(R)-methylsulfinyl]propyl]methanethioamide?
The InChIKey is XDJBLMRZASQLDO-SECBINFHSA-N. The full InChI is InChI=1S/C5H11NOS2/c1-9(7)4-2-3-6-5-8/h5H,2-4H2,1H3,(H,6,8)/t9-/m1/s1.
What are the key properties of N-[3-[(R)-methylsulfinyl]propyl]methanethioamide?
N-[3-[(R)-methylsulfinyl]propyl]methanethioamide has a molecular weight of 165.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-methylsulfinyl]propyl]methanethioamide is sourced from PubChem (CID 162639628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).