2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide

C10H20N2O3S — CID 79670756

IUPAC2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide
SMILESCC(CSCC(O)CO)(NC1CC1)C(N)=O
InChIInChI=1S/C10H20N2O3S/c1-10(9(11)15,12-7-2-3-7)6-16-5-8(14)4-13/h7-8,12-14H,2-6H2,1H3,(H2,11,15)
InChIKeyRABRDTUWTIIQPS-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.93
Rot. Bonds8

About 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide

2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide (PubChem CID 79670756) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide
PubChem CID79670756
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide
SMILESCC(CSCC(O)CO)(NC1CC1)C(N)=O
InChIInChI=1S/C10H20N2O3S/c1-10(9(11)15,12-7-2-3-7)6-16-5-8(14)4-13/h7-8,12-14H,2-6H2,1H3,(H2,11,15)
InChIKeyRABRDTUWTIIQPS-UHFFFAOYSA-N
XLogP-0.93
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanoate
CID 66103651
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)propanoate
CID 79670094
ethyl 2-(cyclopropylamino)-6-(2,3-dihydroxypropylsulfanyl)-2-methylhexanoate
CID 79671932
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107755232
methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79670081
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
methyl 3-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 79670915
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
2-(cyclopropylamino)-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 114234494

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide (CID 79670756) is 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide is CC(CSCC(O)CO)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide?
The InChIKey is RABRDTUWTIIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(9(11)15,12-7-2-3-7)6-16-5-8(14)4-13/h7-8,12-14H,2-6H2,1H3,(H2,11,15).
What are the key properties of 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide?
2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.93, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide is sourced from PubChem (CID 79670756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).