N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide

C11H20N2O3S — CID 112695476

IUPACN-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
SMILESCC(CO)SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(6-14)17-7-11(16)13(2)5-10(15)12-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyBXDFVEUFJXDQAJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.16
Rot. Bonds7

About N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide (PubChem CID 112695476) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
PubChem CID112695476
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
SMILESCC(CO)SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(6-14)17-7-11(16)13(2)5-10(15)12-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyBXDFVEUFJXDQAJ-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
CID 79682428
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8601346
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 63595362
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide (CID 112695476) is N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide is CC(CO)SCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide?
The InChIKey is BXDFVEUFJXDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(6-14)17-7-11(16)13(2)5-10(15)12-9-3-4-9/h8-9,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide has a molecular weight of 260.36 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide is sourced from PubChem (CID 112695476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).