N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide

C12H25N3O3S — CID 61355697

IUPACN,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)19(17,18)15-7-5-6-14(8-9-15)10-12(16)13(3)4/h11H,5-10H2,1-4H3
InChIKeySVGBWNPPPGSQLT-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.18
Rot. Bonds4

About N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide

N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 61355697) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID61355697
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)19(17,18)15-7-5-6-14(8-9-15)10-12(16)13(3)4/h11H,5-10H2,1-4H3
InChIKeySVGBWNPPPGSQLT-UHFFFAOYSA-N
XLogP-0.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 46228176
1-(4-Propylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 46228188
1-[4-(Propane-2-sulfonyl)-1,4-diazepan-1-YL]propan-1-one
CID 53016307
3-Methylsulfonyl-1-(4-propyl-1,4-diazepan-1-yl)propan-1-one
CID 72008219
1-(4-Methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 53016288
1-[4-(Ethylsulfonyl)-1,4-diazepan-1-yl]-1-ethanone
CID 53016289
1-[4-(Ethanesulfonyl)-1,4-diazepan-1-YL]propan-1-one
CID 53016306
1-[4-(Ethanesulfonyl)-1,4-diazepan-1-YL]-2-methylpropan-1-one
CID 53016336
2-Methyl-1-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 53016337
1-[4-(Ethanesulfonyl)-1,4-diazepan-1-YL]-2,2-dimethylpropan-1-one
CID 53016369
2,2-Dimethyl-1-[4-(propane-2-sulfonyl)-1,4-diazepan-1-YL]propan-1-one
CID 53016370
N,N-dimethyl-2-[methyl(propan-2-ylsulfonyl)amino]acetamide
CID 57682566

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 61355697) is N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide is CC(C)S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is SVGBWNPPPGSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11(2)19(17,18)15-7-5-6-14(8-9-15)10-12(16)13(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide?
N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 291.42 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 61355697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).