N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide

C13H20N4O3S — CID 156603641

IUPACN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyIYMCWLGWBZTWBV-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.25
Rot. Bonds5

About N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide

N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 156603641) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID156603641
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3
InChIKeyIYMCWLGWBZTWBV-UHFFFAOYSA-N
XLogP0.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
5-(4-methoxypyrimidin-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146078034
N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 167931722
(2S)-11-(4-methoxypyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153218
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
CID 122140004
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
N-[(3S,4R)-1-(4-methoxypyrimidin-2-yl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
CID 133109408

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 156603641) is N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide is COc1ccnc(N2CC(NS(C)(=O)=O)C(C3CC3)C2)n1.
What is the InChIKey of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IYMCWLGWBZTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-20-12-5-6-14-13(15-12)17-7-10(9-3-4-9)11(8-17)16-21(2,18)19/h5-6,9-11,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide?
N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 156603641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).