N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide

C7H17N3O3S — CID 135265647

IUPACN-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide
SMILES[H]/N=C(\N(COCCC)NC)S(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-4-5-13-6-10(9-2)7(8)14(3,11)12/h8-9H,4-6H2,1-3H3/b8-7+
InChIKeyDAXFDRNKSALYGO-BQYQJAHWSA-N
MW223.30 g/mol
LogP-0.21
Rot. Bonds5

About N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide

N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide (PubChem CID 135265647) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide.

Molecular Properties

Compound NameN-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide
PubChem CID135265647
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC NameN-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide
SMILES[H]/N=C(\N(COCCC)NC)S(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-4-5-13-6-10(9-2)7(8)14(3,11)12/h8-9H,4-6H2,1-3H3/b8-7+
InChIKeyDAXFDRNKSALYGO-BQYQJAHWSA-N
XLogP-0.21
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-methylsulfonylmethanimidamide
CID 155797098
N-ethyl-N-(methylamino)carbamimidoyl fluoride
CID 170771742
butyl N-ethyl-N-(methylamino)carbamate
CID 87167389
3-propoxyprop-1-yne-1-sulfonic acid
CID 174449204
1-hydroxy-2-propoxyethanesulfonate
CID 147990263
2-methyl-2-(methylamino)-3-(2-propoxyethoxy)propanamide
CID 63684948
propoxymethyl carbamimidothioate
CID 55288894
ethyl carbamimidate;hydrogen sulfate;hydron
CID 173067912
sodium 2-propoxyethyl sulfate
CID 101475509
2-ethyl-N,N-dipropoxybutanimidamide
CID 159668750
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
sodium;methanesulfonic acid;methanolate
CID 162335576

Frequently Asked Questions

What is the IUPAC name of N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide?
The IUPAC name of N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide (CID 135265647) is N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide.
What is the SMILES notation for N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide?
The canonical SMILES for N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide is [H]/N=C(\N(COCCC)NC)S(C)(=O)=O.
What is the InChIKey of N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide?
The InChIKey is DAXFDRNKSALYGO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-4-5-13-6-10(9-2)7(8)14(3,11)12/h8-9H,4-6H2,1-3H3/b8-7+.
What are the key properties of N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide?
N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)-1-methylsulfonyl-N-(propoxymethyl)methanimidamide is sourced from PubChem (CID 135265647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).