2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide

C12H23N3OS — CID 66228331

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CSCC(C)(C)N
InChIInChI=1S/C12H23N3OS/c1-9(2)12(5,7-13)15-10(16)6-17-8-11(3,4)14/h9H,6,8,14H2,1-5H3,(H,15,16)
InChIKeyOGEDTEWIZQGMOB-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.51
Rot. Bonds6

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 66228331) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID66228331
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CSCC(C)(C)N
InChIInChI=1S/C12H23N3OS/c1-9(2)12(5,7-13)15-10(16)6-17-8-11(3,4)14/h9H,6,8,14H2,1-5H3,(H,15,16)
InChIKeyOGEDTEWIZQGMOB-UHFFFAOYSA-N
XLogP1.51
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43091358
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2669494
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606007
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43301360
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772069
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772067
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7813201
2-(2-amino-2-methylpropyl)sulfanyl-N-prop-2-enylacetamide
CID 66222711
2-(2-amino-2-methylpropyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66223578

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 66228331) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CSCC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is OGEDTEWIZQGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9(2)12(5,7-13)15-10(16)6-17-8-11(3,4)14/h9H,6,8,14H2,1-5H3,(H,15,16).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 257.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66228331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).