methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate

C11H24N4O4S — CID 114461198

IUPACmethyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCN(CC(C)CN)CC1
InChIInChI=1S/C11H24N4O4S/c1-10(8-12)9-14-4-3-5-15(7-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeyLSNWYIPVVRISRC-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.81
Rot. Bonds5

About methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate

methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate (PubChem CID 114461198) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
PubChem CID114461198
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Namemethyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCN(CC(C)CN)CC1
InChIInChI=1S/C11H24N4O4S/c1-10(8-12)9-14-4-3-5-15(7-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeyLSNWYIPVVRISRC-UHFFFAOYSA-N
XLogP-0.81
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[[4-(3-aminopropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461182
methyl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461191
4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
CID 114813812
2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
methyl N-[4-(2-chloroethyl)piperazin-1-yl]sulfonylcarbamate
CID 114466217
methyl N-[4-(1-aminopentan-2-yl)piperazin-1-yl]sulfonylcarbamate
CID 114461406
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 61065292
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 43252018
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
CID 43252310
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 112601684

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate?
The IUPAC name of methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate (CID 114461198) is methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate.
What is the SMILES notation for methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate?
The canonical SMILES for methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate is COC(=O)NS(=O)(=O)N1CCCN(CC(C)CN)CC1.
What is the InChIKey of methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate?
The InChIKey is LSNWYIPVVRISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-10(8-12)9-14-4-3-5-15(7-6-14)20(17,18)13-11(16)19-2/h10H,3-9,12H2,1-2H3,(H,13,16).
What are the key properties of methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate?
methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate is sourced from PubChem (CID 114461198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).