2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide

C12H24N2OS — CID 63921417

IUPAC2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-4-7-14-12(11(13)15,10-5-6-10)8-16-9(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCUGBSYCXXGNVHA-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds8

About 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide

2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide (PubChem CID 63921417) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
PubChem CID63921417
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-4-7-14-12(11(13)15,10-5-6-10)8-16-9(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCUGBSYCXXGNVHA-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
CID 114234379
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63920473
2-cyclopropyl-3-(2-methylpentoxy)-2-(propylamino)propanamide
CID 103285031
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845
2-cyclopropyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)propanamide
CID 63916084
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide (CID 63921417) is 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide is CCCNC(CSC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide?
The InChIKey is CUGBSYCXXGNVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-7-14-12(11(13)15,10-5-6-10)8-16-9(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide?
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide is sourced from PubChem (CID 63921417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).