1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide

C16H24N6O2S — CID 122317619

IUPAC1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cn1C
InChIInChI=1S/C16H24N6O2S/c1-12(2)16-20-15(11-21(16)3)25(23,24)18-10-13-17-7-6-14(19-13)22-8-4-5-9-22/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyYCFQOZFSMGYWAX-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.41
Rot. Bonds6

About 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide

1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 122317619) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID122317619
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cn1C
InChIInChI=1S/C16H24N6O2S/c1-12(2)16-20-15(11-21(16)3)25(23,24)18-10-13-17-7-6-14(19-13)22-8-4-5-9-22/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyYCFQOZFSMGYWAX-UHFFFAOYSA-N
XLogP1.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122254411
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238
2,4,5-trimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966578
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122252856
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
4-methoxy-2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966585
3-acetyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318630

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide (CID 122317619) is 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cn1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is YCFQOZFSMGYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12(2)16-20-15(11-21(16)3)25(23,24)18-10-13-17-7-6-14(19-13)22-8-4-5-9-22/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122317619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).