2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide

C14H26N4O2S — CID 62157057

IUPAC2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cnc(NCC)nc1
InChIInChI=1S/C14H26N4O2S/c1-5-7-8-9-18(12(3)4)21(19,20)13-10-16-14(15-6-2)17-11-13/h10-12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyKLABLIOVJAECHG-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.50
Rot. Bonds9

About 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide

2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 62157057) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID62157057
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cnc(NCC)nc1
InChIInChI=1S/C14H26N4O2S/c1-5-7-8-9-18(12(3)4)21(19,20)13-10-16-14(15-6-2)17-11-13/h10-12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyKLABLIOVJAECHG-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide (CID 62157057) is 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide is CCCCCN(C(C)C)S(=O)(=O)c1cnc(NCC)nc1.
What is the InChIKey of 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is KLABLIOVJAECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-7-8-9-18(12(3)4)21(19,20)13-10-16-14(15-6-2)17-11-13/h10-12H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide?
2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62157057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).