methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate

C11H17N5O4S — CID 114461595

IUPACmethyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C11H17N5O4S/c1-20-11(17)14-21(18,19)16-7-5-15(6-8-16)10-9(12)3-2-4-13-10/h2-4H,5-8,12H2,1H3,(H,14,17)
InChIKeyKHFBUMDMGVZJFQ-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.61
Rot. Bonds3

About methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate

methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate (PubChem CID 114461595) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
PubChem CID114461595
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Namemethyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C11H17N5O4S/c1-20-11(17)14-21(18,19)16-7-5-15(6-8-16)10-9(12)3-2-4-13-10/h2-4H,5-8,12H2,1H3,(H,14,17)
InChIKeyKHFBUMDMGVZJFQ-UHFFFAOYSA-N
XLogP-0.61
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 43462177
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530537
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-amine
CID 28845965
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000236
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate (CID 114461595) is methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate?
The InChIKey is KHFBUMDMGVZJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-20-11(17)14-21(18,19)16-7-5-15(6-8-16)10-9(12)3-2-4-13-10/h2-4H,5-8,12H2,1H3,(H,14,17).
What are the key properties of methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate?
methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate has a molecular weight of 315.36 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114461595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).