N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide

C5H10N2O3S — CID 25810

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
SMILESCN(N=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3
InChIKeyPRZXZYVFNZCXQH-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.21
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide

N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide (PubChem CID 25810) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
PubChem CID25810
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
SMILESCN(N=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3
InChIKeyPRZXZYVFNZCXQH-UHFFFAOYSA-N
XLogP-0.21
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
1-(1,1-dioxothiolan-3-yl)-2-hydroxy-1-methylguanidine
CID 62481876
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 99976652
ethyl N-(dimethylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 99976651
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylcarbamodithioate
CID 7058890
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
CID 99976773

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide (CID 25810) is N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide is CN(N=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide?
The InChIKey is PRZXZYVFNZCXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide?
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide has a molecular weight of 178.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide is sourced from PubChem (CID 25810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).