5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine

C16H27N5O3S — CID 72892763

IUPAC5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine
SMILESCCc1ncc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C16H27N5O3S/c1-6-15-17-7-12(8-18-15)16(22)21-9-13(11(2)3)14(10-21)19-25(23,24)20(4)5/h7-8,11,13-14,19H,6,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyRWTDTRAZSCJLFD-UONOGXRCSA-N
MW369.49 g/mol
LogP0.53
Rot. Bonds6

About 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine

5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine (PubChem CID 72892763) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine.

Molecular Properties

Compound Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine
PubChem CID72892763
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine
SMILESCCc1ncc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C16H27N5O3S/c1-6-15-17-7-12(8-18-15)16(22)21-9-13(11(2)3)14(10-21)19-25(23,24)20(4)5/h7-8,11,13-14,19H,6,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyRWTDTRAZSCJLFD-UONOGXRCSA-N
XLogP0.53
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine
CID 156606755
2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine
CID 156604716
(3S,4R)-1-(5-acetylthiophene-2-carbonyl)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72853893
(3S,4R)-1-[2-(2-chlorophenyl)acetyl]-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72890177
(3S,4R)-1-(2-chloro-5-fluorobenzoyl)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72930712
N-[(3R,4S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 154898973
N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70722712
1,1-dimethyl-3-[4-propan-2-yl-1-(2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]urea
CID 156606234
(3S,4R)-3-(dimethylsulfamoylamino)-1-(2-phenylethyl)-4-propan-2-ylpyrrolidine
CID 72891795
N-[(3S,4R)-1-(4-methylsulfonylbenzoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133127517
N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 133132402
methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 72931528

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine?
The IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine (CID 72892763) is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine.
What is the SMILES notation for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine?
The canonical SMILES for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine is CCc1ncc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cn1.
What is the InChIKey of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine?
The InChIKey is RWTDTRAZSCJLFD-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-6-15-17-7-12(8-18-15)16(22)21-9-13(11(2)3)14(10-21)19-25(23,24)20(4)5/h7-8,11,13-14,19H,6,9-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine?
5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine has a molecular weight of 369.49 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine is sourced from PubChem (CID 72892763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).