N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide

C14H24N4O2S — CID 64733725

IUPACN-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-15-14-16-8-13(9-17-14)21(19,20)18-12-6-10(2)5-11(3)7-12/h8-12,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyFSCDYCFMMGHSCE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.01
Rot. Bonds5

About N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide

N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide (PubChem CID 64733725) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
PubChem CID64733725
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CC(C)CC(C)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-4-15-14-16-8-13(9-17-14)21(19,20)18-12-6-10(2)5-11(3)7-12/h8-12,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyFSCDYCFMMGHSCE-UHFFFAOYSA-N
XLogP2.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 113467463
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
CID 62143446
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147723
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 62149094
2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
CID 83022830
2-(ethylamino)-N-(1-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64688285
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide (CID 64733725) is N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NC2CC(C)CC(C)C2)cn1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
The InChIKey is FSCDYCFMMGHSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-15-14-16-8-13(9-17-14)21(19,20)18-12-6-10(2)5-11(3)7-12/h8-12,18H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide?
N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).