2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C14H29N3O3S — CID 79645531

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29N3O3S/c1-5-17(12-6-7-21(19,20)9-12)13(18)8-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3
InChIKeyBTXQQDCEZJHVLW-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.06
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 79645531) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID79645531
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29N3O3S/c1-5-17(12-6-7-21(19,20)9-12)13(18)8-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3
InChIKeyBTXQQDCEZJHVLW-UHFFFAOYSA-N
XLogP-0.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide
CID 79652736
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
CID 94453620
2-[(2-bromophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 26011510
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 26009338
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 79645531) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CN(C)CC(C)(C)CN)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is BTXQQDCEZJHVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-5-17(12-6-7-21(19,20)9-12)13(18)8-16(4)11-14(2,3)10-15/h12H,5-11,15H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 319.47 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 79645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).