N-methylpropane-2-sulfonothioamide

C4H11NOS2 — CID 167163905

IUPACN-methylpropane-2-sulfonothioamide
SMILESCNS(=O)(=S)C(C)C
InChIInChI=1S/C4H11NOS2/c1-4(2)8(6,7)5-3/h4-5H,1-3H3
InChIKeyPHVJQWFBJXKLDX-UHFFFAOYSA-N
MW153.27 g/mol
LogP0.28
Rot. Bonds2

About N-methylpropane-2-sulfonothioamide

N-methylpropane-2-sulfonothioamide (PubChem CID 167163905) has the molecular formula C4H11NOS2 and a molecular weight of 153.27 g/mol. Its IUPAC name is N-methylpropane-2-sulfonothioamide.

Molecular Properties

Compound NameN-methylpropane-2-sulfonothioamide
PubChem CID167163905
Molecular FormulaC4H11NOS2
Molecular Weight153.27 g/mol
Exact Mass153.03
IUPAC NameN-methylpropane-2-sulfonothioamide
SMILESCNS(=O)(=S)C(C)C
InChIInChI=1S/C4H11NOS2/c1-4(2)8(6,7)5-3/h4-5H,1-3H3
InChIKeyPHVJQWFBJXKLDX-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylpropane-2-sulfonothioamide?
The IUPAC name of N-methylpropane-2-sulfonothioamide (CID 167163905) is N-methylpropane-2-sulfonothioamide.
What is the SMILES notation for N-methylpropane-2-sulfonothioamide?
The canonical SMILES for N-methylpropane-2-sulfonothioamide is CNS(=O)(=S)C(C)C.
What is the InChIKey of N-methylpropane-2-sulfonothioamide?
The InChIKey is PHVJQWFBJXKLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS2/c1-4(2)8(6,7)5-3/h4-5H,1-3H3.
What are the key properties of N-methylpropane-2-sulfonothioamide?
N-methylpropane-2-sulfonothioamide has a molecular weight of 153.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropane-2-sulfonothioamide is sourced from PubChem (CID 167163905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).