N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

C15H25N5O2S — CID 126887254

IUPACN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESO=S(=O)(N1CCCCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,19-9-3-1-2-4-10-19)20-11-6-14(7-12-20)18-15-5-8-16-13-17-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,16,17,18)
InChIKeyNMIIFOGYRQMNJQ-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.47
Rot. Bonds4

About N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887254) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887254
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESO=S(=O)(N1CCCCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,19-9-3-1-2-4-10-19)20-11-6-14(7-12-20)18-15-5-8-16-13-17-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,16,17,18)
InChIKeyNMIIFOGYRQMNJQ-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887171
6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139352
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
N-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887251
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887254) is N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is O=S(=O)(N1CCCCCC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is NMIIFOGYRQMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c21-23(22,19-9-3-1-2-4-10-19)20-11-6-14(7-12-20)18-15-5-8-16-13-17-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,16,17,18).
What are the key properties of N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 339.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).