(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

C13H22N4O2S — CID 100698843

IUPAC(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H22N4O2S/c1-10(2)16-20(18,19)12-4-6-17(9-12)8-11-3-5-15-13(14)7-11/h3,5,7,10,12,16H,4,6,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyYGNXBFBAOLBYSI-LBPRGKRZSA-N
MW298.41 g/mol
LogP0.57
Rot. Bonds5

About (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 100698843) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID100698843
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccnc(N)c2)C1
InChIInChI=1S/C13H22N4O2S/c1-10(2)16-20(18,19)12-4-6-17(9-12)8-11-3-5-15-13(14)7-11/h3,5,7,10,12,16H,4,6,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyYGNXBFBAOLBYSI-LBPRGKRZSA-N
XLogP0.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 166195461
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 75497436
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 100699222
4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
CID 136537496
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864
(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100692198
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 100698843) is (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccnc(N)c2)C1.
What is the InChIKey of (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is YGNXBFBAOLBYSI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10(2)16-20(18,19)12-4-6-17(9-12)8-11-3-5-15-13(14)7-11/h3,5,7,10,12,16H,4,6,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 100698843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).