N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

C14H21N4O3S+ — CID 9025506

IUPACN-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCC2)c[nH+]1)NC1CC1
InChIInChI=1S/C14H20N4O3S/c19-14(17-11-3-4-11)10-16-13-6-5-12(9-15-13)22(20,21)18-7-1-2-8-18/h5-6,9,11H,1-4,7-8,10H2,(H,15,16)(H,17,19)/p+1
InChIKeyRGMKTQKTFYMLPG-UHFFFAOYSA-O
MW325.41 g/mol
LogP-0.02
Rot. Bonds6

About N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide

N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (PubChem CID 9025506) has the molecular formula C14H21N4O3S+ and a molecular weight of 325.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
PubChem CID9025506
Molecular FormulaC14H21N4O3S+
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC NameN-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCC2)c[nH+]1)NC1CC1
InChIInChI=1S/C14H20N4O3S/c19-14(17-11-3-4-11)10-16-13-6-5-12(9-15-13)22(20,21)18-7-1-2-8-18/h5-6,9,11H,1-4,7-8,10H2,(H,15,16)(H,17,19)/p+1
InChIKeyRGMKTQKTFYMLPG-UHFFFAOYSA-O
XLogP-0.02
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9281567
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9251559
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41091084
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide (CID 9025506) is N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is O=C(CNc1ccc(S(=O)(=O)N2CCCC2)c[nH+]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
The InChIKey is RGMKTQKTFYMLPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4O3S/c19-14(17-11-3-4-11)10-16-13-6-5-12(9-15-13)22(20,21)18-7-1-2-8-18/h5-6,9,11H,1-4,7-8,10H2,(H,15,16)(H,17,19)/p+1.
What are the key properties of N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide?
N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide has a molecular weight of 325.41 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide is sourced from PubChem (CID 9025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).