N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C17H28N4O2S — CID 95897104

IUPACN-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NC2CCCCCC2)nc1[C@H]1CCCNC1
InChIInChI=1S/C17H28N4O2S/c1-24(22,23)15-12-19-17(20-14-8-4-2-3-5-9-14)21-16(15)13-7-6-10-18-11-13/h12-14,18H,2-11H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyJFPLAGBRUFMTJM-ZDUSSCGKSA-N
MW352.50 g/mol
LogP2.48
Rot. Bonds4

About N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine

N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95897104) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID95897104
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NC2CCCCCC2)nc1[C@H]1CCCNC1
InChIInChI=1S/C17H28N4O2S/c1-24(22,23)15-12-19-17(20-14-8-4-2-3-5-9-14)21-16(15)13-7-6-10-18-11-13/h12-14,18H,2-11H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyJFPLAGBRUFMTJM-ZDUSSCGKSA-N
XLogP2.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 95867078
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571
N-[(3,4-difluorophenyl)methyl]-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95862886
N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 56918134
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018
N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 95897104) is N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine is CS(=O)(=O)c1cnc(NC2CCCCCC2)nc1[C@H]1CCCNC1.
What is the InChIKey of N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JFPLAGBRUFMTJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-24(22,23)15-12-19-17(20-14-8-4-2-3-5-9-14)21-16(15)13-7-6-10-18-11-13/h12-14,18H,2-11H2,1H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 352.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95897104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).