N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide

C15H26N4O2S — CID 95158154

IUPACN-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1ccc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)nc1
InChIInChI=1S/C15H26N4O2S/c1-13-4-5-15(16-10-13)17-11-14-6-9-19(12-14)8-3-7-18-22(2,20)21/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyDXPSVIMAEDNFPG-CQSZACIVSA-N
MW326.47 g/mol
LogP1.06
Rot. Bonds8

About N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 95158154) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID95158154
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1ccc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)nc1
InChIInChI=1S/C15H26N4O2S/c1-13-4-5-15(16-10-13)17-11-14-6-9-19(12-14)8-3-7-18-22(2,20)21/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyDXPSVIMAEDNFPG-CQSZACIVSA-N
XLogP1.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773884
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86773888
N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 86773887
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740
N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 133371456
5-methyl-3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]oxolan-2-one
CID 86773880
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
N-(azetidin-3-ylmethyl)-5-methylpyridin-2-amine
CID 130987495
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 81319065
6-[[(3R)-1-[2-(4-cyanophenoxy)ethyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145761

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide (CID 95158154) is N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide is Cc1ccc(NC[C@H]2CCN(CCCNS(C)(=O)=O)C2)nc1.
What is the InChIKey of N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is DXPSVIMAEDNFPG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13-4-5-15(16-10-13)17-11-14-6-9-19(12-14)8-3-7-18-22(2,20)21/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 95158154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).