2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide

C9H13N5O2S — CID 20832793

IUPAC2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2S/c1-6(2)3-17(15,16)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyMOEGIPLEHGYUTN-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide

2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide (PubChem CID 20832793) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
PubChem CID20832793
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2S/c1-6(2)3-17(15,16)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyMOEGIPLEHGYUTN-UHFFFAOYSA-N
XLogP0.75
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
4-(bromomethyl)-N-(7H-purin-6-yl)benzenesulfonamide
CID 107858527
N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
CID 129151813
N-(3-ethyl-2,4-dimethylpentan-3-yl)-7H-purin-6-amine
CID 131972661
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide (CID 20832793) is 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide?
The InChIKey is MOEGIPLEHGYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-6(2)3-17(15,16)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide?
2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide is sourced from PubChem (CID 20832793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).