2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide

C10H16N4O2S2 — CID 80613102

IUPAC2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCCCS2)cn1
InChIInChI=1S/C10H16N4O2S2/c11-10-12-6-9(7-13-10)18(15,16)14-5-8-3-1-2-4-17-8/h6-8,14H,1-5H2,(H2,11,12,13)
InChIKeyYIFDERMRMFKKNL-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.62
Rot. Bonds4

About 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide

2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 80613102) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID80613102
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCCCS2)cn1
InChIInChI=1S/C10H16N4O2S2/c11-10-12-6-9(7-13-10)18(15,16)14-5-8-3-1-2-4-17-8/h6-8,14H,1-5H2,(H2,11,12,13)
InChIKeyYIFDERMRMFKKNL-UHFFFAOYSA-N
XLogP0.62
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
CID 114141679
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide (CID 80613102) is 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NCC2CCCCS2)cn1.
What is the InChIKey of 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is YIFDERMRMFKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c11-10-12-6-9(7-13-10)18(15,16)14-5-8-3-1-2-4-17-8/h6-8,14H,1-5H2,(H2,11,12,13).
What are the key properties of 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide?
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 80613102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).