N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

C12H23N3O3S — CID 47704829

IUPACN-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCN(C(=O)CN1CCCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C12H23N3O3S/c1-13(11-4-5-11)12(16)10-14-6-3-7-15(9-8-14)19(2,17)18/h11H,3-10H2,1-2H3
InChIKeyCYHANYIABUYXDB-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.43
Rot. Bonds4

About N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide

N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (PubChem CID 47704829) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
PubChem CID47704829
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
SMILESCN(C(=O)CN1CCCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C12H23N3O3S/c1-13(11-4-5-11)12(16)10-14-6-3-7-15(9-8-14)19(2,17)18/h11H,3-10H2,1-2H3
InChIKeyCYHANYIABUYXDB-UHFFFAOYSA-N
XLogP-0.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 53016288
N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 24998697
2-[ethyl(methylsulfonyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 88991609
N-methyl-2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
CID 89901696
4-Tert-butyl-1-ethylsulfonyl-1,4-diazepan-2-one
CID 135216988
4-Tert-butyl-1-methylsulfonyl-1,4-diazepan-2-one
CID 146179525
N-methyl-1-methylsulfonyl-N-propan-2-ylaziridine-2-carboxamide
CID 156447044
1-methylsulfonyl-N,N-di(propan-2-yl)aziridine-2-carboxamide
CID 168085806
N-butan-2-yl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 47021652
2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 47151722
N-cyclopropyl-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
CID 47409824
N-cyclopropyl-N-methyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 47522413

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide (CID 47704829) is N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is CN(C(=O)CN1CCCN(S(C)(=O)=O)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is CYHANYIABUYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-13(11-4-5-11)12(16)10-14-6-3-7-15(9-8-14)19(2,17)18/h11H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide?
N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 47704829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).