2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate

C9H14N4O4S — CID 103306938

IUPAC2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate
SMILESCNc1cccnc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C9H14N4O4S/c1-11-7-3-2-4-12-8(7)18(15,16)13-5-6-17-9(10)14/h2-4,11,13H,5-6H2,1H3,(H2,10,14)
InChIKeyXHCBUHAZQHJPKA-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.50
Rot. Bonds6

About 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate

2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate (PubChem CID 103306938) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate
PubChem CID103306938
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate
SMILESCNc1cccnc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C9H14N4O4S/c1-11-7-3-2-4-12-8(7)18(15,16)13-5-6-17-9(10)14/h2-4,11,13H,5-6H2,1H3,(H2,10,14)
InChIKeyXHCBUHAZQHJPKA-UHFFFAOYSA-N
XLogP-0.50
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106241007
N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide
CID 103305004
2-methyl-2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]propanamide
CID 103305579
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106407931
3-(methylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 106408023
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305937
N-butyl-3-hydrazinylpyridine-2-sulfonamide
CID 103300794
N-(2,2-dicyclopropylethyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306367
3-(methylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103305012

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate (CID 103306938) is 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate is CNc1cccnc1S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate?
The InChIKey is XHCBUHAZQHJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-11-7-3-2-4-12-8(7)18(15,16)13-5-6-17-9(10)14/h2-4,11,13H,5-6H2,1H3,(H2,10,14).
What are the key properties of 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate?
2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate has a molecular weight of 274.30 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate is sourced from PubChem (CID 103306938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).