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

C12H25N3O3S — CID 61383731

IUPACN,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-10-19(17,18)15-7-5-6-14(8-9-15)11-12(16)13(2)3/h4-11H2,1-3H3
InChIKeyJIVJVRZJBTYXLK-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.18
Rot. Bonds5

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

N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 61383731) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID61383731
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-10-19(17,18)15-7-5-6-14(8-9-15)11-12(16)13(2)3/h4-11H2,1-3H3
InChIKeyJIVJVRZJBTYXLK-UHFFFAOYSA-N
XLogP-0.18
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 61383731) is N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide is CCCS(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is JIVJVRZJBTYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-10-19(17,18)15-7-5-6-14(8-9-15)11-12(16)13(2)3/h4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide?
N,N-dimethyl-2-(4-propylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 291.42 g/mol, XLogP of -0.18, 5 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-propylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 61383731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).