6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine

C17H24N4O2S — CID 124843608

IUPAC6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1
InChIInChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyDYTJFUBCWVHXNS-ZDUSSCGKSA-N
MW348.47 g/mol
LogP2.18
Rot. Bonds6

About 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine

6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine (PubChem CID 124843608) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
PubChem CID124843608
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1
InChIInChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyDYTJFUBCWVHXNS-ZDUSSCGKSA-N
XLogP2.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine (CID 124843608) is 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine is CCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1.
What is the InChIKey of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The InChIKey is DYTJFUBCWVHXNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 124843608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).