2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide

C13H26N2O2S — CID 66103202

IUPAC2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(CO)CSCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-9(2)15-13(12(14)17,11-4-5-11)8-18-7-10(3)6-16/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyMDDMRPFMRXROPG-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.98
Rot. Bonds9

About 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 66103202) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID66103202
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(CO)CSCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-9(2)15-13(12(14)17,11-4-5-11)8-18-7-10(3)6-16/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyMDDMRPFMRXROPG-UHFFFAOYSA-N
XLogP0.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide (CID 66103202) is 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide is CC(CO)CSCC(NC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is MDDMRPFMRXROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(2)15-13(12(14)17,11-4-5-11)8-18-7-10(3)6-16/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17).
What are the key properties of 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 274.43 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 66103202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).