3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide

C13H21N3O3S2 — CID 103426574

IUPAC3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCC1CCC(Nc2sc(C(N)=O)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O3S2/c1-7-3-5-8(6-4-7)16-13-11(21(2,18)19)9(14)10(20-13)12(15)17/h7-8,16H,3-6,14H2,1-2H3,(H2,15,17)
InChIKeyPPPFZYROXMWEAH-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103426574) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103426574
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
SMILESCC1CCC(Nc2sc(C(N)=O)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H21N3O3S2/c1-7-3-5-8(6-4-7)16-13-11(21(2,18)19)9(14)10(20-13)12(15)17/h7-8,16H,3-6,14H2,1-2H3,(H2,15,17)
InChIKeyPPPFZYROXMWEAH-UHFFFAOYSA-N
XLogP1.82
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide (CID 103426574) is 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide is CC1CCC(Nc2sc(C(N)=O)c(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is PPPFZYROXMWEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-7-3-5-8(6-4-7)16-13-11(21(2,18)19)9(14)10(20-13)12(15)17/h7-8,16H,3-6,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103426574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).