N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C15H25N5O3S — CID 70751118

IUPACN-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C15H25N5O3S/c1-5-16-15-17-6-11(7-18-15)14(21)20-8-12(10(2)3)13(9-20)19-24(4,22)23/h6-7,10,12-13,19H,5,8-9H2,1-4H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyJSELNSRGRZCIRU-QWHCGFSZSA-N
MW355.46 g/mol
LogP0.55
Rot. Bonds6

About N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70751118) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70751118
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1
InChIInChI=1S/C15H25N5O3S/c1-5-16-15-17-6-11(7-18-15)14(21)20-8-12(10(2)3)13(9-20)19-24(4,22)23/h6-7,10,12-13,19H,5,8-9H2,1-4H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyJSELNSRGRZCIRU-QWHCGFSZSA-N
XLogP0.55
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70751118) is N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1.
What is the InChIKey of N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JSELNSRGRZCIRU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-5-16-15-17-6-11(7-18-15)14(21)20-8-12(10(2)3)13(9-20)19-24(4,22)23/h6-7,10,12-13,19H,5,8-9H2,1-4H3,(H,16,17,18)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(ethylamino)pyrimidine-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70751118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).