N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide

C18H27N5O2S — CID 146602624

IUPACN-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide
SMILESCN(c1ncnc2[nH]ccc12)C1CCC(S(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C18H27N5O2S/c1-23(18-16-10-11-19-17(16)20-12-21-18)14-6-8-15(9-7-14)26(24,25)22-13-4-2-3-5-13/h10-15,22H,2-9H2,1H3,(H,19,20,21)
InChIKeyXWDDJLKHQKHZNP-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.57
Rot. Bonds5

About N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide

N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide (PubChem CID 146602624) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide
PubChem CID146602624
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide
SMILESCN(c1ncnc2[nH]ccc12)C1CCC(S(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C18H27N5O2S/c1-23(18-16-10-11-19-17(16)20-12-21-18)14-6-8-15(9-7-14)26(24,25)22-13-4-2-3-5-13/h10-15,22H,2-9H2,1H3,(H,19,20,21)
InChIKeyXWDDJLKHQKHZNP-UHFFFAOYSA-N
XLogP2.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 59252667
1-cyclopropyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]azetidine-3-sulfonamide
CID 78324434
4-chloro-N-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]benzenesulfonamide
CID 146602630
N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
CID 118868734
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 159036457
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
3-(2-cyanoethyl)-3-methyl-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]cyclobutane-1-sulfonamide
CID 137383955
N-(1-ethylsulfonylpyrrolidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537153
N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537152

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide (CID 146602624) is N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide is CN(c1ncnc2[nH]ccc12)C1CCC(S(=O)(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide?
The InChIKey is XWDDJLKHQKHZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-23(18-16-10-11-19-17(16)20-12-21-18)14-6-8-15(9-7-14)26(24,25)22-13-4-2-3-5-13/h10-15,22H,2-9H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide?
N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide is sourced from PubChem (CID 146602624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).