N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide

C16H29N3O4S — CID 45354516

IUPACN-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H29N3O4S/c1-16(2,3)17-14(20)9-18(4)10-15(21)19(12-5-6-12)13-7-8-24(22,23)11-13/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyYFBMAJLNLGSTJE-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.01
Rot. Bonds6

About N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 45354516) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID45354516
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC NameN-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H29N3O4S/c1-16(2,3)17-14(20)9-18(4)10-15(21)19(12-5-6-12)13-7-8-24(22,23)11-13/h12-13H,5-11H2,1-4H3,(H,17,20)
InChIKeyYFBMAJLNLGSTJE-UHFFFAOYSA-N
XLogP0.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156
2-[[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387567
2-[tert-butylcarbamoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60830125
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 75414639
4-[[[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125157
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 164638759
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide (CID 45354516) is N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(=O)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YFBMAJLNLGSTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-16(2,3)17-14(20)9-18(4)10-15(21)19(12-5-6-12)13-7-8-24(22,23)11-13/h12-13H,5-11H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 359.49 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 45354516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).