2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide

C14H24N4O2S — CID 79359680

IUPAC2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cn1
InChIInChI=1S/C14H24N4O2S/c1-6-15-12-16-7-10(8-17-12)21(19,20)18-9-11-13(2,3)14(11,4)5/h7-8,11,18H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyJKEMUMXOTWQZTP-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.87
Rot. Bonds6

About 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide

2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide (PubChem CID 79359680) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
PubChem CID79359680
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cn1
InChIInChI=1S/C14H24N4O2S/c1-6-15-12-16-7-10(8-17-12)21(19,20)18-9-11-13(2,3)14(11,4)5/h7-8,11,18H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyJKEMUMXOTWQZTP-UHFFFAOYSA-N
XLogP1.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145464
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309
2-(ethylamino)-N-(1-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64688285
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64733725
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide (CID 79359680) is 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is JKEMUMXOTWQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-6-15-12-16-7-10(8-17-12)21(19,20)18-9-11-13(2,3)14(11,4)5/h7-8,11,18H,6,9H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide?
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 79359680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).