5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine

C13H22N4O3S — CID 95107248

IUPAC5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-16(2)21(18,19)15-12-6-7-17(10-12)9-11-4-5-13(20-3)14-8-11/h4-5,8,12,15H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyLCJPYCYJBJQDAL-GFCCVEGCSA-N
MW314.41 g/mol
LogP0.06
Rot. Bonds6

About 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine

5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 95107248) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
PubChem CID95107248
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-16(2)21(18,19)15-12-6-7-17(10-12)9-11-4-5-13(20-3)14-8-11/h4-5,8,12,15H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyLCJPYCYJBJQDAL-GFCCVEGCSA-N
XLogP0.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
4-N-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901710
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107187
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-propylpiperidin-4-amine
CID 62992462
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine (CID 95107248) is 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine is COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C)C2)cn1.
What is the InChIKey of 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is LCJPYCYJBJQDAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-16(2)21(18,19)15-12-6-7-17(10-12)9-11-4-5-13(20-3)14-8-11/h4-5,8,12,15H,6-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine?
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 314.41 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 95107248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).