5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide

C12H19ClN4O2S — CID 124853404

IUPAC5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide
SMILESC[C@H]1CCCCN1CCNS(=O)(=O)c1ncc(Cl)cn1
InChIInChI=1S/C12H19ClN4O2S/c1-10-4-2-3-6-17(10)7-5-16-20(18,19)12-14-8-11(13)9-15-12/h8-10,16H,2-7H2,1H3/t10-/m0/s1
InChIKeyVUJIPCKNBLUVSP-JTQLQIEISA-N
MW318.83 g/mol
LogP1.28
Rot. Bonds5

About 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide

5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide (PubChem CID 124853404) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide
PubChem CID124853404
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide
SMILESC[C@H]1CCCCN1CCNS(=O)(=O)c1ncc(Cl)cn1
InChIInChI=1S/C12H19ClN4O2S/c1-10-4-2-3-6-17(10)7-5-16-20(18,19)12-14-8-11(13)9-15-12/h8-10,16H,2-7H2,1H3/t10-/m0/s1
InChIKeyVUJIPCKNBLUVSP-JTQLQIEISA-N
XLogP1.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
CID 94197160
N-[2-(2-methylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 47206387
4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 60810408
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 95058242
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 3835146
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 107650620
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 55723525
3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15996431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide (CID 124853404) is 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide is C[C@H]1CCCCN1CCNS(=O)(=O)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide?
The InChIKey is VUJIPCKNBLUVSP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-10-4-2-3-6-17(10)7-5-16-20(18,19)12-14-8-11(13)9-15-12/h8-10,16H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide?
5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2-sulfonamide is sourced from PubChem (CID 124853404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).