4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide

C9H14N4O2S — CID 71638955

IUPAC4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide
SMILESCc1ccnc(S(=O)(=O)N[C@@H]2CCNC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-2-5-11-9(12-7)16(14,15)13-8-3-4-10-6-8/h2,5,8,10,13H,3-4,6H2,1H3/t8-/m1/s1
InChIKeyAICLJDQHMXHKGF-MRVPVSSYSA-N
MW242.30 g/mol
LogP-0.57
Rot. Bonds3

About 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide

4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide (PubChem CID 71638955) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide
PubChem CID71638955
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide
SMILESCc1ccnc(S(=O)(=O)N[C@@H]2CCNC2)n1
InChIInChI=1S/C9H14N4O2S/c1-7-2-5-11-9(12-7)16(14,15)13-8-3-4-10-6-8/h2,5,8,10,13H,3-4,6H2,1H3/t8-/m1/s1
InChIKeyAICLJDQHMXHKGF-MRVPVSSYSA-N
XLogP-0.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
4-Methylpyrimidine-2-sulfonamide
CID 22114194
N-{(3R*,4S*)-4-isopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}methanesulfonamide
CID 70710576
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
CID 95808509
4-Methyl-2-(methylsulfonyl)pyrimidine
CID 2772379
4-Methylpyrimidine-2-sulfonyl fluoride
CID 53426726
3-methyl-N-(pyrimidin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 105780774
N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 164633475
N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-(difluoromethyl)pyrimidin-2-amine
CID 164635643
N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide
CID 22444231
N-(pyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584326
N-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 66660763

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide?
The IUPAC name of 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide (CID 71638955) is 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide?
The canonical SMILES for 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide is Cc1ccnc(S(=O)(=O)N[C@@H]2CCNC2)n1.
What is the InChIKey of 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide?
The InChIKey is AICLJDQHMXHKGF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-2-5-11-9(12-7)16(14,15)13-8-3-4-10-6-8/h2,5,8,10,13H,3-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide?
4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide is sourced from PubChem (CID 71638955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).