4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid

C16H30N4O4S — CID 87412613

IUPAC4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid
SMILES[H]N=S(=O)(O)CCCC(=O)N1CCC(N(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c17-16(22)20(13-5-2-1-3-6-13)14-8-10-19(11-9-14)15(21)7-4-12-25(18,23)24/h13-14H,1-12H2,(H2,17,22)(H2,18,23,24)
InChIKeyCSHHXAKAUZTMGB-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.99
Rot. Bonds6

About 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid

4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid (PubChem CID 87412613) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid.

Molecular Properties

Compound Name4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid
PubChem CID87412613
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid
SMILES[H]N=S(=O)(O)CCCC(=O)N1CCC(N(C(N)=O)C2CCCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c17-16(22)20(13-5-2-1-3-6-13)14-8-10-19(11-9-14)15(21)7-4-12-25(18,23)24/h13-14H,1-12H2,(H2,17,22)(H2,18,23,24)
InChIKeyCSHHXAKAUZTMGB-UHFFFAOYSA-N
XLogP1.99
TPSA127.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
CID 141119386
1-cyclohexyl-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 67489629
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
1-cyclohexyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]urea
CID 67489628
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 143591983
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
CID 67489638
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide
CID 141242145

Frequently Asked Questions

What is the IUPAC name of 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid?
The IUPAC name of 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid (CID 87412613) is 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid.
What is the SMILES notation for 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid?
The canonical SMILES for 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid is [H]N=S(=O)(O)CCCC(=O)N1CCC(N(C(N)=O)C2CCCCC2)CC1.
What is the InChIKey of 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid?
The InChIKey is CSHHXAKAUZTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c17-16(22)20(13-5-2-1-3-6-13)14-8-10-19(11-9-14)15(21)7-4-12-25(18,23)24/h13-14H,1-12H2,(H2,17,22)(H2,18,23,24).
What are the key properties of 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid?
4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid has a molecular weight of 374.51 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-oxobutane-1-sulfonimidic acid is sourced from PubChem (CID 87412613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).