(2R)-N-methyl-2-(thian-3-ylamino)propanamide

C9H18N2OS — CID 86787638

IUPAC(2R)-N-methyl-2-(thian-3-ylamino)propanamide
SMILESCNC(=O)[C@@H](C)NC1CCCSC1
InChIInChI=1S/C9H18N2OS/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m1/s1
InChIKeyMDWLMYAVZUECAN-GVHYBUMESA-N
MW202.32 g/mol
LogP0.61
Rot. Bonds3

About (2R)-N-methyl-2-(thian-3-ylamino)propanamide

(2R)-N-methyl-2-(thian-3-ylamino)propanamide (PubChem CID 86787638) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2R)-N-methyl-2-(thian-3-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(thian-3-ylamino)propanamide
PubChem CID86787638
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2R)-N-methyl-2-(thian-3-ylamino)propanamide
SMILESCNC(=O)[C@@H](C)NC1CCCSC1
InChIInChI=1S/C9H18N2OS/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m1/s1
InChIKeyMDWLMYAVZUECAN-GVHYBUMESA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(thian-3-ylamino)propanamide?
The IUPAC name of (2R)-N-methyl-2-(thian-3-ylamino)propanamide (CID 86787638) is (2R)-N-methyl-2-(thian-3-ylamino)propanamide.
What is the SMILES notation for (2R)-N-methyl-2-(thian-3-ylamino)propanamide?
The canonical SMILES for (2R)-N-methyl-2-(thian-3-ylamino)propanamide is CNC(=O)[C@@H](C)NC1CCCSC1.
What is the InChIKey of (2R)-N-methyl-2-(thian-3-ylamino)propanamide?
The InChIKey is MDWLMYAVZUECAN-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(9(12)10-2)11-8-4-3-5-13-6-8/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8?/m1/s1.
What are the key properties of (2R)-N-methyl-2-(thian-3-ylamino)propanamide?
(2R)-N-methyl-2-(thian-3-ylamino)propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(thian-3-ylamino)propanamide is sourced from PubChem (CID 86787638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).