2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide

C12H25N3O2S — CID 114234454

IUPAC2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(=O)CSCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2S/c1-8(2)14-10(16)6-18-7-12(5,11(13)17)15-9(3)4/h8-9,15H,6-7H2,1-5H3,(H2,13,17)(H,14,16)
InChIKeyOVZHVHJSUVOHBD-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.49
Rot. Bonds8

About 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide

2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 114234454) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID114234454
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(=O)CSCC(C)(NC(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2S/c1-8(2)14-10(16)6-18-7-12(5,11(13)17)15-9(3)4/h8-9,15H,6-7H2,1-5H3,(H2,13,17)(H,14,16)
InChIKeyOVZHVHJSUVOHBD-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 63855423
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
2-methyl-3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 62991593
2-methyl-3-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79325666
2-tert-butylsulfanyl-N-propan-2-ylacetamide
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N-propan-2-yl-2-[2-propyl-2-(sulfanylmethyl)pentyl]sulfanylacetamide
CID 114235084
2-(2-amino-2-methylpropyl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66223578
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
[2-oxo-2-(propan-2-ylamino)ethyl] carbamimidothioate
CID 65212140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide (CID 114234454) is 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide is CC(C)NC(=O)CSCC(C)(NC(C)C)C(N)=O.
What is the InChIKey of 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is OVZHVHJSUVOHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-8(2)14-10(16)6-18-7-12(5,11(13)17)15-9(3)4/h8-9,15H,6-7H2,1-5H3,(H2,13,17)(H,14,16).
What are the key properties of 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide?
2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 275.42 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 114234454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).