2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine

C14H25N5O3S — CID 72930484

IUPAC2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCCC[C@H]1CN(c2nccc(OC)n2)C[C@@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H25N5O3S/c1-5-6-11-9-19(14-15-8-7-13(16-14)22-4)10-12(11)17-23(20,21)18(2)3/h7-8,11-12,17H,5-6,9-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyPRBUQBFBASFYJA-RYUDHWBXSA-N
MW343.45 g/mol
LogP0.49
Rot. Bonds7

About 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine

2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine (PubChem CID 72930484) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine
PubChem CID72930484
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine
SMILESCCC[C@H]1CN(c2nccc(OC)n2)C[C@@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H25N5O3S/c1-5-6-11-9-19(14-15-8-7-13(16-14)22-4)10-12(11)17-23(20,21)18(2)3/h7-8,11-12,17H,5-6,9-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyPRBUQBFBASFYJA-RYUDHWBXSA-N
XLogP0.49
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine (CID 72930484) is 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine is CCC[C@H]1CN(c2nccc(OC)n2)C[C@@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine?
The InChIKey is PRBUQBFBASFYJA-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-5-6-11-9-19(14-15-8-7-13(16-14)22-4)10-12(11)17-23(20,21)18(2)3/h7-8,11-12,17H,5-6,9-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine?
2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine has a molecular weight of 343.45 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 72930484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).