N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide

C13H20N4O3S — CID 112531128

IUPACN-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(C(=O)N2CCC(N)CC2)ccn1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-9-12-8-10(2-5-15-12)13(18)17-6-3-11(14)4-7-17/h2,5,8,11,16H,3-4,6-7,9,14H2,1H3
InChIKeyQYQLTQXMNNLEKS-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.31
Rot. Bonds4

About N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide

N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide (PubChem CID 112531128) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
PubChem CID112531128
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(C(=O)N2CCC(N)CC2)ccn1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-9-12-8-10(2-5-15-12)13(18)17-6-3-11(14)4-7-17/h2,5,8,11,16H,3-4,6-7,9,14H2,1H3
InChIKeyQYQLTQXMNNLEKS-UHFFFAOYSA-N
XLogP-0.31
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112521751
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide (CID 112531128) is N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(C(=O)N2CCC(N)CC2)ccn1.
What is the InChIKey of N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The InChIKey is QYQLTQXMNNLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)16-9-12-8-10(2-5-15-12)13(18)17-6-3-11(14)4-7-17/h2,5,8,11,16H,3-4,6-7,9,14H2,1H3.
What are the key properties of N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide has a molecular weight of 312.40 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 112531128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).