[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone

C14H22N2O3S2 — CID 103425606

IUPAC[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CCNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S2/c1-8(2)6-7-16-14-13(21(3,18)19)10(15)12(20-14)11(17)9-4-5-9/h8-9,16H,4-7,15H2,1-3H3
InChIKeyHFVMLZJHKPXFLO-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.78
Rot. Bonds7

About [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103425606) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103425606
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CCNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S2/c1-8(2)6-7-16-14-13(21(3,18)19)10(15)12(20-14)11(17)9-4-5-9/h8-9,16H,4-7,15H2,1-3H3
InChIKeyHFVMLZJHKPXFLO-UHFFFAOYSA-N
XLogP2.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (CID 103425606) is [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is CC(C)CCNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is HFVMLZJHKPXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-8(2)6-7-16-14-13(21(3,18)19)10(15)12(20-14)11(17)9-4-5-9/h8-9,16H,4-7,15H2,1-3H3.
What are the key properties of [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 330.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103425606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).