2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide

C11H19N5O2S — CID 55043468

IUPAC2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C11H19N5O2S/c1-16-4-2-9(3-5-16)6-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyWSHZPXWJNKLMHW-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.32
Rot. Bonds4

About 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide

2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 55043468) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID55043468
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C11H19N5O2S/c1-16-4-2-9(3-5-16)6-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,2-6H2,1H3,(H2,12,13,14)
InChIKeyWSHZPXWJNKLMHW-UHFFFAOYSA-N
XLogP-0.32
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide (CID 55043468) is 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide is CN1CCC(CNS(=O)(=O)c2cnc(N)nc2)CC1.
What is the InChIKey of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is WSHZPXWJNKLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-16-4-2-9(3-5-16)6-15-19(17,18)10-7-13-11(12)14-8-10/h7-9,15H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide?
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 55043468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).