2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide

C11H18N4O3S2 — CID 61298632

IUPAC2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N4O3S2/c12-9-6-11(19-8-9)20(17,18)15-3-1-2-14(4-5-15)7-10(13)16/h6,8H,1-5,7,12H2,(H2,13,16)
InChIKeyLUMKLBPLCJQZEK-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.49
Rot. Bonds4

About 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide

2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide (PubChem CID 61298632) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
PubChem CID61298632
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N4O3S2/c12-9-6-11(19-8-9)20(17,18)15-3-1-2-14(4-5-15)7-10(13)16/h6,8H,1-5,7,12H2,(H2,13,16)
InChIKeyLUMKLBPLCJQZEK-UHFFFAOYSA-N
XLogP-0.49
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 102692272
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 61300187
2-[4-(chloromethylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 63666188
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
CID 62936523
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
2-(azetidin-1-yl)acetamide
CID 18923030
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide (CID 61298632) is 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide?
The InChIKey is LUMKLBPLCJQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c12-9-6-11(19-8-9)20(17,18)15-3-1-2-14(4-5-15)7-10(13)16/h6,8H,1-5,7,12H2,(H2,13,16).
What are the key properties of 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide?
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 61298632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).