N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide

C11H23N3O5S2 — CID 154789787

IUPACN-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)N1CCCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O5S2/c1-11(2,12-20(3,16)17)10(15)13-6-5-7-14(9-8-13)21(4,18)19/h12H,5-9H2,1-4H3
InChIKeyZYOSQLSWSZDISH-UHFFFAOYSA-N
MW341.46 g/mol
LogP-1.19
Rot. Bonds4

About N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide

N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 154789787) has the molecular formula C11H23N3O5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID154789787
Molecular FormulaC11H23N3O5S2
Molecular Weight341.46 g/mol
Exact Mass341.11
IUPAC NameN-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)N1CCCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O5S2/c1-11(2,12-20(3,16)17)10(15)13-6-5-7-14(9-8-13)21(4,18)19/h12H,5-9H2,1-4H3
InChIKeyZYOSQLSWSZDISH-UHFFFAOYSA-N
XLogP-1.19
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

2-bromo-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 82308981
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 118669191
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293
2-amino-2-ethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 79810147
3-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 110738782
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
trans-(1R,2R)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119643
(2S)-2-amino-3-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 119277994
2-(aminomethyl)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 114290672

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 154789787) is N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)C(=O)N1CCCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is ZYOSQLSWSZDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S2/c1-11(2,12-20(3,16)17)10(15)13-6-5-7-14(9-8-13)21(4,18)19/h12H,5-9H2,1-4H3.
What are the key properties of N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 341.46 g/mol, XLogP of -1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 154789787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).