[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine

C11H19N3O2S2 — CID 43155654

IUPAC[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESCN1CCCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-13-5-2-6-14(8-7-13)18(15,16)11-4-3-10(9-12)17-11/h3-4H,2,5-9,12H2,1H3
InChIKeyJHXGMHWZCSUSOZ-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.53
Rot. Bonds3

About [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine

[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine (PubChem CID 43155654) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
PubChem CID43155654
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESCN1CCCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-13-5-2-6-14(8-7-13)18(15,16)11-4-3-10(9-12)17-11/h3-4H,2,5-9,12H2,1H3
InChIKeyJHXGMHWZCSUSOZ-UHFFFAOYSA-N
XLogP0.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine (CID 43155654) is [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine is CN1CCCN(S(=O)(=O)c2ccc(CN)s2)CC1.
What is the InChIKey of [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine?
The InChIKey is JHXGMHWZCSUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-13-5-2-6-14(8-7-13)18(15,16)11-4-3-10(9-12)17-11/h3-4H,2,5-9,12H2,1H3.
What are the key properties of [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine?
[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine has a molecular weight of 289.43 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 43155654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).