N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide

C13H22N4O2S2 — CID 119112903

IUPACN,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC2=NCCCN2)s1
InChIInChI=1S/C13H22N4O2S2/c1-3-17(4-2)21(18,19)12-7-6-11(20-12)10-16-13-14-8-5-9-15-13/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyQQEHZOQFJHWDTD-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.22
Rot. Bonds6

About N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide

N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 119112903) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID119112903
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC NameN,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC2=NCCCN2)s1
InChIInChI=1S/C13H22N4O2S2/c1-3-17(4-2)21(18,19)12-7-6-11(20-12)10-16-13-14-8-5-9-15-13/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyQQEHZOQFJHWDTD-UHFFFAOYSA-N
XLogP1.22
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide (CID 119112903) is N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(CNC2=NCCCN2)s1.
What is the InChIKey of N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is QQEHZOQFJHWDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-3-17(4-2)21(18,19)12-7-6-11(20-12)10-16-13-14-8-5-9-15-13/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16).
What are the key properties of N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide?
N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).