N-(2-methylsulfonylethyl)-7H-purin-6-amine

C8H11N5O2S — CID 60919261

IUPACN-(2-methylsulfonylethyl)-7H-purin-6-amine
SMILESCS(=O)(=O)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O2S/c1-16(14,15)3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyIYKHIZWZHAKPIO-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.19
Rot. Bonds4

About N-(2-methylsulfonylethyl)-7H-purin-6-amine

N-(2-methylsulfonylethyl)-7H-purin-6-amine (PubChem CID 60919261) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-7H-purin-6-amine
PubChem CID60919261
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-(2-methylsulfonylethyl)-7H-purin-6-amine
SMILESCS(=O)(=O)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O2S/c1-16(14,15)3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyIYKHIZWZHAKPIO-UHFFFAOYSA-N
XLogP-0.19
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
(7H-purin-6-ylamino)methanol
CID 86209273
4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
CID 519855
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
CID 20832793

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-7H-purin-6-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-7H-purin-6-amine (CID 60919261) is N-(2-methylsulfonylethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-7H-purin-6-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-7H-purin-6-amine is CS(=O)(=O)CCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-methylsulfonylethyl)-7H-purin-6-amine?
The InChIKey is IYKHIZWZHAKPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-16(14,15)3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(2-methylsulfonylethyl)-7H-purin-6-amine?
N-(2-methylsulfonylethyl)-7H-purin-6-amine has a molecular weight of 241.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-7H-purin-6-amine is sourced from PubChem (CID 60919261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).