N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide

C12H19N3O4S2 — CID 103306610

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C12H19N3O4S2/c1-2-13-11-6-3-7-14-12(11)21(18,19)15-9-10-5-4-8-20(10,16)17/h3,6-7,10,13,15H,2,4-5,8-9H2,1H3
InChIKeyJYUXVSOBLQSQFD-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.37
Rot. Bonds6

About N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide

N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103306610) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103306610
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C12H19N3O4S2/c1-2-13-11-6-3-7-14-12(11)21(18,19)15-9-10-5-4-8-20(10,16)17/h3,6-7,10,13,15H,2,4-5,8-9H2,1H3
InChIKeyJYUXVSOBLQSQFD-UHFFFAOYSA-N
XLogP0.37
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
2-bromo-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]benzenesulfonamide
CID 97321593
3-(ethylamino)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 103307536
3-(ethylamino)-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103305993
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 81040530
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(ethylamino)benzamide
CID 81039861
3-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-2-sulfonamide
CID 103307452

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide (CID 103306610) is N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is JYUXVSOBLQSQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-2-13-11-6-3-7-14-12(11)21(18,19)15-9-10-5-4-8-20(10,16)17/h3,6-7,10,13,15H,2,4-5,8-9H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).