N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide

C14H24N4O2S — CID 97119107

IUPACN-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
SMILESCCCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)cn2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-7-18-8-6-12(11-18)9-16-14-5-4-13(10-17-14)21(19,20)15-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyIFBNMASUGWCJPX-LBPRGKRZSA-N
MW312.44 g/mol
LogP1.13
Rot. Bonds7

About N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide

N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide (PubChem CID 97119107) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
PubChem CID97119107
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
SMILESCCCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)cn2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-7-18-8-6-12(11-18)9-16-14-5-4-13(10-17-14)21(19,20)15-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyIFBNMASUGWCJPX-LBPRGKRZSA-N
XLogP1.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 133371456
6-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-N-methylpyridine-3-sulfonamide
CID 133299090
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715
N-[3-[(3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 95158154
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N-[(1-propylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 122567194
N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 125444048
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide (CID 97119107) is N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide is CCCN1CC[C@@H](CNc2ccc(S(=O)(=O)NC)cn2)C1.
What is the InChIKey of N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
The InChIKey is IFBNMASUGWCJPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-7-18-8-6-12(11-18)9-16-14-5-4-13(10-17-14)21(19,20)15-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide?
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 97119107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).