2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide

C12H24N2O3S — CID 79670744

IUPAC2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSCC(O)CO)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O3S/c1-8(2)14-12(11(13)17,9-3-4-9)7-18-6-10(16)5-15/h8-10,14-16H,3-7H2,1-2H3,(H2,13,17)
InChIKeyZSHLBMOMJFIFMB-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.30
Rot. Bonds9

About 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide (PubChem CID 79670744) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
PubChem CID79670744
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSCC(O)CO)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O3S/c1-8(2)14-12(11(13)17,9-3-4-9)7-18-6-10(16)5-15/h8-10,14-16H,3-7H2,1-2H3,(H2,13,17)
InChIKeyZSHLBMOMJFIFMB-UHFFFAOYSA-N
XLogP-0.30
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide (CID 79670744) is 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide is CC(C)NC(CSCC(O)CO)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is ZSHLBMOMJFIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-8(2)14-12(11(13)17,9-3-4-9)7-18-6-10(16)5-15/h8-10,14-16H,3-7H2,1-2H3,(H2,13,17).
What are the key properties of 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 276.40 g/mol, XLogP of -0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79670744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).