2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide

C10H20N2O3S — CID 79811013

IUPAC2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-10(2,11)9(13)12-8-5-4-6-16(14,15)7-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyNWIXXBBILHDDMP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.19
Rot. Bonds3

About 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide

2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide (PubChem CID 79811013) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
PubChem CID79811013
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-10(2,11)9(13)12-8-5-4-6-16(14,15)7-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyNWIXXBBILHDDMP-UHFFFAOYSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,1-dioxothian-3-yl)pentanamide
CID 103796806
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
1-(1,1-dioxothian-3-yl)-2-ethylguanidine
CID 63922578
ethyl 2-[(1,1-dioxothian-3-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116538085
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377
2-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylbutanamide
CID 114290964
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
N-(1,1-dioxothian-3-yl)-3-(ethylamino)propanamide
CID 63923533
N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920246
4-[(1,1-dioxothian-3-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63923304
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide (CID 79811013) is 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide is CCC(C)(N)C(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide?
The InChIKey is NWIXXBBILHDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-10(2,11)9(13)12-8-5-4-6-16(14,15)7-8/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide?
2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide has a molecular weight of 248.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide is sourced from PubChem (CID 79811013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).