N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide

C15H31N3O3S — CID 49449909

IUPACN-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCCC(CNS(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-12(2)8-16-15(19)11-18-7-5-6-14(10-18)9-17-22(20,21)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,16,19)
InChIKeyPYODJKKUZJDTNQ-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.80
Rot. Bonds8

About N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide

N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 49449909) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
PubChem CID49449909
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCCC(CNS(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-12(2)8-16-15(19)11-18-7-5-6-14(10-18)9-17-22(20,21)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,16,19)
InChIKeyPYODJKKUZJDTNQ-UHFFFAOYSA-N
XLogP0.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
CID 95281336
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide (CID 49449909) is N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide is CC(C)CNC(=O)CN1CCCC(CNS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is PYODJKKUZJDTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-12(2)8-16-15(19)11-18-7-5-6-14(10-18)9-17-22(20,21)13(3)4/h12-14,17H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 333.50 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 49449909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).