N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide

C11H18N4O4S2 — CID 62145464

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H18N4O4S2/c1-2-12-11-13-6-10(7-14-11)21(18,19)15-5-9-3-4-20(16,17)8-9/h6-7,9,15H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyWDAVLKCJDZGWQU-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.38
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 62145464) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID62145464
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H18N4O4S2/c1-2-12-11-13-6-10(7-14-11)21(18,19)15-5-9-3-4-20(16,17)8-9/h6-7,9,15H,2-5,8H2,1H3,(H,12,13,14)
InChIKeyWDAVLKCJDZGWQU-UHFFFAOYSA-N
XLogP-0.38
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 61127648
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
CID 61047462
ethyl 4-[[(3R)-1,1-dioxothiolan-3-yl]methylsulfamoyl]benzoate
CID 52512736
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62133630
N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62162827
2-(ethylamino)-N-(1-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64688285
2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
CID 62143446

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide (CID 62145464) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is WDAVLKCJDZGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-2-12-11-13-6-10(7-14-11)21(18,19)15-5-9-3-4-20(16,17)8-9/h6-7,9,15H,2-5,8H2,1H3,(H,12,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62145464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).