N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide

C15H25N3O2S — CID 45229198

IUPACN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NS(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-14(2,3)13-16-9-10-11(17-13)7-15(4,5)8-12(10)18-21(6,19)20/h9,12,18H,7-8H2,1-6H3
InChIKeyRKDUUQJJQZVUCU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.34
Rot. Bonds2

About N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide (PubChem CID 45229198) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
PubChem CID45229198
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NS(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-14(2,3)13-16-9-10-11(17-13)7-15(4,5)8-12(10)18-21(6,19)20/h9,12,18H,7-8H2,1-6H3
InChIKeyRKDUUQJJQZVUCU-UHFFFAOYSA-N
XLogP2.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
(5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 25370573
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide;hydrochloride
CID 154898148
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97150544
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
CID 72905511
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393
N-[(5R)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 26403155
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
CID 97142240
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110237907
2-(methoxymethyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009698

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide?
The IUPAC name of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide (CID 45229198) is N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NS(C)(=O)=O)C1.
What is the InChIKey of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide?
The InChIKey is RKDUUQJJQZVUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14(2,3)13-16-9-10-11(17-13)7-15(4,5)8-12(10)18-21(6,19)20/h9,12,18H,7-8H2,1-6H3.
What are the key properties of N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide?
N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methanesulfonamide is sourced from PubChem (CID 45229198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).