N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide

C15H30N4O5S — CID 119479631

IUPACN-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H30N4O5S/c1-12(2)24-8-9-25(22,23)18-10-14(20)19-7-3-4-13(11-19)15(21)17-6-5-16/h12-13,18H,3-11,16H2,1-2H3,(H,17,21)
InChIKeyFQMWNQCJOSMNOM-UHFFFAOYSA-N
MW378.50 g/mol
LogP-1.36
Rot. Bonds10

About N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide (PubChem CID 119479631) has the molecular formula C15H30N4O5S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide
PubChem CID119479631
Molecular FormulaC15H30N4O5S
Molecular Weight378.50 g/mol
Exact Mass378.19
IUPAC NameN-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H30N4O5S/c1-12(2)24-8-9-25(22,23)18-10-14(20)19-7-3-4-13(11-19)15(21)17-6-5-16/h12-13,18H,3-11,16H2,1-2H3,(H,17,21)
InChIKeyFQMWNQCJOSMNOM-UHFFFAOYSA-N
XLogP-1.36
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
CID 119631281
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)acetyl]piperidine-3-carboxamide
CID 119482315

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide (CID 119479631) is N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide is CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide?
The InChIKey is FQMWNQCJOSMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O5S/c1-12(2)24-8-9-25(22,23)18-10-14(20)19-7-3-4-13(11-19)15(21)17-6-5-16/h12-13,18H,3-11,16H2,1-2H3,(H,17,21).
What are the key properties of N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of -1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).