(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide

C8H11BrN4O2S — CID 164643242

IUPAC(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(c2ncncc2Br)C1
InChIInChI=1S/C8H11BrN4O2S/c9-7-3-11-5-12-8(7)13-2-1-6(4-13)16(10,14)15/h3,5-6H,1-2,4H2,(H2,10,14,15)/t6-/m0/s1
InChIKeyVWRZPENAOJOWLN-LURJTMIESA-N
MW307.17 g/mol
LogP0.11
Rot. Bonds2

About (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide

(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide (PubChem CID 164643242) has the molecular formula C8H11BrN4O2S and a molecular weight of 307.17 g/mol. Its IUPAC name is (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
PubChem CID164643242
Molecular FormulaC8H11BrN4O2S
Molecular Weight307.17 g/mol
Exact Mass305.98
IUPAC Name(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(c2ncncc2Br)C1
InChIInChI=1S/C8H11BrN4O2S/c9-7-3-11-5-12-8(7)13-2-1-6(4-13)16(10,14)15/h3,5-6H,1-2,4H2,(H2,10,14,15)/t6-/m0/s1
InChIKeyVWRZPENAOJOWLN-LURJTMIESA-N
XLogP0.11
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
CID 134150012
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
5-(Isopropylsulfonyl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 2819755
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976832
5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
5-bromo-4-N-methyl-2-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 91650182
5-bromo-2-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 99634454
N-[1-[1-(5-bromopyrimidin-2-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 136539718
(2R,3S)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122701995
(2R,3R)-3-(5-bromopyrimidin-2-yl)-3-fluorobutane-2-sulfonamide
CID 122702096

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide (CID 164643242) is (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCN(c2ncncc2Br)C1.
What is the InChIKey of (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide?
The InChIKey is VWRZPENAOJOWLN-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrN4O2S/c9-7-3-11-5-12-8(7)13-2-1-6(4-13)16(10,14)15/h3,5-6H,1-2,4H2,(H2,10,14,15)/t6-/m0/s1.
What are the key properties of (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide?
(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide has a molecular weight of 307.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 164643242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).