2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide

C13H26N2OS — CID 107756122

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCNC(CSCC(C)CC)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2OS/c1-4-10(3)8-17-9-13(12(14)16,15-5-2)11-6-7-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyUZHGKBNPYZNFEY-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.01
Rot. Bonds9

About 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide

2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide (PubChem CID 107756122) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
PubChem CID107756122
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
SMILESCCNC(CSCC(C)CC)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2OS/c1-4-10(3)8-17-9-13(12(14)16,15-5-2)11-6-7-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyUZHGKBNPYZNFEY-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanoate
CID 66103421
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-2-(ethylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63907689
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
CID 107755938
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 107764801
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide (CID 107756122) is 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide is CCNC(CSCC(C)CC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide?
The InChIKey is UZHGKBNPYZNFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-10(3)8-17-9-13(12(14)16,15-5-2)11-6-7-11/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide?
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide has a molecular weight of 258.43 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 107756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).