N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide

C14H28N2O2S — CID 2169384

IUPACN-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
SMILESCC[C@@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CC
InChIInChI=1S/C14H28N2O2S/c1-5-11(3)15-13(17)7-9-19-10-8-14(18)16-12(4)6-2/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyIIGOJJAAWFUYNS-VXGBXAGGSA-N
MW288.46 g/mol
LogP2.33
Rot. Bonds10

About N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide

N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide (PubChem CID 2169384) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
PubChem CID2169384
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
SMILESCC[C@@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CC
InChIInChI=1S/C14H28N2O2S/c1-5-11(3)15-13(17)7-9-19-10-8-14(18)16-12(4)6-2/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1
InChIKeyIIGOJJAAWFUYNS-VXGBXAGGSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide with MolForge

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Related Compounds

3-benzylsulfanyl-N-butan-2-ylpropanamide
CID 19916451
3-amino-N-butan-2-ylpropanamide
CID 16784988
N-butan-2-yl-4-oxopentanamide
CID 60635035
3-ethylsulfanyl-N-heptan-2-ylpropanamide
CID 87001996
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418562
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
(2S)-2-(3-butylsulfanylpropanoylamino)propanoic acid
CID 103791009
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]butanoic acid
CID 43360932
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide (CID 2169384) is N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide is CC[C@@H](C)NC(=O)CCSCCC(=O)N[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide?
The InChIKey is IIGOJJAAWFUYNS-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-5-11(3)15-13(17)7-9-19-10-8-14(18)16-12(4)6-2/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)/t11-,12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide?
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide has a molecular weight of 288.46 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 2169384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).