5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

C15H25ClN4O4S — CID 119987763

IUPAC5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4S.ClH/c1-17-10-13(14(20)18(2)15(17)21)24(22,23)19-7-5-12(6-8-19)16-9-11-3-4-11;/h10-12,16H,3-9H2,1-2H3;1H
InChIKeyYWPIMIQRKQEVCC-UHFFFAOYSA-N
MW392.91 g/mol
LogP-0.34
Rot. Bonds5

About 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119987763) has the molecular formula C15H25ClN4O4S and a molecular weight of 392.91 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID119987763
Molecular FormulaC15H25ClN4O4S
Molecular Weight392.91 g/mol
Exact Mass392.13
IUPAC Name5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4S.ClH/c1-17-10-13(14(20)18(2)15(17)21)24(22,23)19-7-5-12(6-8-19)16-9-11-3-4-11;/h10-12,16H,3-9H2,1-2H3;1H
InChIKeyYWPIMIQRKQEVCC-UHFFFAOYSA-N
XLogP-0.34
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
CID 119961286
N-(cyclopropylmethyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine
CID 115307191
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 79031036
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987415
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 119987763) is 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is YWPIMIQRKQEVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S.ClH/c1-17-10-13(14(20)18(2)15(17)21)24(22,23)19-7-5-12(6-8-19)16-9-11-3-4-11;/h10-12,16H,3-9H2,1-2H3;1H.
What are the key properties of 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119987763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).