2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide

C10H21N3O3S — CID 62837051

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CN1CCCNCC1
InChIInChI=1S/C10H21N3O3S/c1-17(15,16)8-5-12-10(14)9-13-6-2-3-11-4-7-13/h11H,2-9H2,1H3,(H,12,14)
InChIKeyIQNAZUMIDRDKCJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.56
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 62837051) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID62837051
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)CN1CCCNCC1
InChIInChI=1S/C10H21N3O3S/c1-17(15,16)8-5-12-10(14)9-13-6-2-3-11-4-7-13/h11H,2-9H2,1H3,(H,12,14)
InChIKeyIQNAZUMIDRDKCJ-UHFFFAOYSA-N
XLogP-1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide (CID 62837051) is 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is IQNAZUMIDRDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-17(15,16)8-5-12-10(14)9-13-6-2-3-11-4-7-13/h11H,2-9H2,1H3,(H,12,14).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 263.36 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 62837051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).