phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate

C13H19N3O4S — CID 61132158

IUPACphenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
SMILESNS(=O)(=O)NCC1CCCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)15-9-11-5-4-8-16(10-11)13(17)20-12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2,(H2,14,18,19)
InChIKeyNBEKMIIHKOBSAP-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.69
Rot. Bonds4

About phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate

phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate (PubChem CID 61132158) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
PubChem CID61132158
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namephenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
SMILESNS(=O)(=O)NCC1CCCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)15-9-11-5-4-8-16(10-11)13(17)20-12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2,(H2,14,18,19)
InChIKeyNBEKMIIHKOBSAP-UHFFFAOYSA-N
XLogP0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115286723
2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537

Frequently Asked Questions

What is the IUPAC name of phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate (CID 61132158) is phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate is NS(=O)(=O)NCC1CCCN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate?
The InChIKey is NBEKMIIHKOBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-21(18,19)15-9-11-5-4-8-16(10-11)13(17)20-12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2,(H2,14,18,19).
What are the key properties of phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate?
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 61132158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).