(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide

C10H21N3O2S2 — CID 139292410

IUPAC(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide
SMILESCNC(=O)[C@](C)(CS)NC(=O)[C@](C)(CS)NC
InChIInChI=1S/C10H21N3O2S2/c1-9(5-16,12-4)8(15)13-10(2,6-17)7(14)11-3/h12,16-17H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-,10-/m0/s1
InChIKeyCJKRFTRYSBVCNW-UWVGGRQHSA-N
MW279.43 g/mol
LogP-0.56
Rot. Bonds6

About (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide

(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide (PubChem CID 139292410) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide
PubChem CID139292410
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide
SMILESCNC(=O)[C@](C)(CS)NC(=O)[C@](C)(CS)NC
InChIInChI=1S/C10H21N3O2S2/c1-9(5-16,12-4)8(15)13-10(2,6-17)7(14)11-3/h12,16-17H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-,10-/m0/s1
InChIKeyCJKRFTRYSBVCNW-UWVGGRQHSA-N
XLogP-0.56
TPSA70.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide?
The IUPAC name of (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide (CID 139292410) is (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide is CNC(=O)[C@](C)(CS)NC(=O)[C@](C)(CS)NC.
What is the InChIKey of (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide?
The InChIKey is CJKRFTRYSBVCNW-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-9(5-16,12-4)8(15)13-10(2,6-17)7(14)11-3/h12,16-17H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide?
(2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide has a molecular weight of 279.43 g/mol, XLogP of -0.56, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-2-[[(2R)-2-methyl-2-(methylamino)-3-sulfanylpropanoyl]amino]-3-sulfanylpropanamide is sourced from PubChem (CID 139292410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).