N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

C11H22N2O3S — CID 81040634

IUPACN-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-17(10,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyBSZXUBJFZKNJDM-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds6

About N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (PubChem CID 81040634) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
PubChem CID81040634
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-17(10,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyBSZXUBJFZKNJDM-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]propanamide
CID 81040006
N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038397
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 81038902
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
CID 97053070
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81038798
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-[(2S)-5-methylhexan-2-yl]urea
CID 97080784
ethyl 2-[(1,1-dioxothiolan-2-yl)methylamino]butanoate
CID 81039682

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (CID 81040634) is N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is CCC(C)NC(=O)CNCC1CCCS1(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The InChIKey is BSZXUBJFZKNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-17(10,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is sourced from PubChem (CID 81040634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).