N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C15H24N4O4S — CID 56907720

IUPACN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O4S/c20-14-13(9-16-15(21)18-14)24(22,23)19-12-8-7-11(12)17-10-5-3-1-2-4-6-10/h9-12,17,19H,1-8H2,(H2,16,18,20,21)/t11-,12+/m1/s1
InChIKeyWLPGUMQRSFFEQZ-NEPJUHHUSA-N
MW356.45 g/mol
LogP0.18
Rot. Bonds5

About N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 56907720) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID56907720
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O4S/c20-14-13(9-16-15(21)18-14)24(22,23)19-12-8-7-11(12)17-10-5-3-1-2-4-6-10/h9-12,17,19H,1-8H2,(H2,16,18,20,21)/t11-,12+/m1/s1
InChIKeyWLPGUMQRSFFEQZ-NEPJUHHUSA-N
XLogP0.18
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43508900
N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
CID 121208905
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 133266438
5-chloro-N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]thiophene-2-sulfonamide
CID 133130662
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
4-cycloheptyl-1,3-dihydroimidazol-2-one
CID 105438957
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione
CID 170943340
5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 63249028
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 56907720) is N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)c(=O)[nH]1.
What is the InChIKey of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is WLPGUMQRSFFEQZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4O4S/c20-14-13(9-16-15(21)18-14)24(22,23)19-12-8-7-11(12)17-10-5-3-1-2-4-6-10/h9-12,17,19H,1-8H2,(H2,16,18,20,21)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 56907720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).