N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide

C10H16N4O2S — CID 97166084

IUPACN-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCNC1)c1ncccn1
InChIInChI=1S/C10H16N4O2S/c15-17(16,10-12-5-2-6-13-10)14-8-9-3-1-4-11-7-9/h2,5-6,9,11,14H,1,3-4,7-8H2/t9-/m0/s1
InChIKeyKDJPLROAXFWXJM-VIFPVBQESA-N
MW256.33 g/mol
LogP-0.25
Rot. Bonds4

About N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide

N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide (PubChem CID 97166084) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
PubChem CID97166084
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCNC1)c1ncccn1
InChIInChI=1S/C10H16N4O2S/c15-17(16,10-12-5-2-6-13-10)14-8-9-3-1-4-11-7-9/h2,5-6,9,11,14H,1,3-4,7-8H2/t9-/m0/s1
InChIKeyKDJPLROAXFWXJM-VIFPVBQESA-N
XLogP-0.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 71635724
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide (CID 97166084) is N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide is O=S(=O)(NC[C@H]1CCCNC1)c1ncccn1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide?
The InChIKey is KDJPLROAXFWXJM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O2S/c15-17(16,10-12-5-2-6-13-10)14-8-9-3-1-4-11-7-9/h2,5-6,9,11,14H,1,3-4,7-8H2/t9-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide?
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide is sourced from PubChem (CID 97166084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).