N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide

C14H24N4O2S — CID 62148028

IUPACN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWGUXACPIQBAINE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide

N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62148028) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62148028
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWGUXACPIQBAINE-UHFFFAOYSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-5-pyrimidinesulfonamide
CID 53420996
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
3-Methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine-1,1-dioxide
CID 70334143
N-[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 132385699
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730592
N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 67616179
N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 68760264
2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 87129605
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 100655032
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 175753484
4-amino-N-propylpyrimidine-5-sulfonamide
CID 129709079
2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 55043115

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 62148028) is N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is WGUXACPIQBAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62148028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).