[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate

C14H28N2O5S — CID 118241736

IUPAC[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
SMILESCC(C)O[C@@H](CNS(C)(=O)=O)COC(=O)CC1CCNCC1
InChIInChI=1S/C14H28N2O5S/c1-11(2)21-13(9-16-22(3,18)19)10-20-14(17)8-12-4-6-15-7-5-12/h11-13,15-16H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyKKOIHJUTQYHWLB-ZDUSSCGKSA-N
MW336.45 g/mol
LogP0.26
Rot. Bonds9

About [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate

[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate (PubChem CID 118241736) has the molecular formula C14H28N2O5S and a molecular weight of 336.45 g/mol. Its IUPAC name is [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate.

Molecular Properties

Compound Name[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
PubChem CID118241736
Molecular FormulaC14H28N2O5S
Molecular Weight336.45 g/mol
Exact Mass336.17
IUPAC Name[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
SMILESCC(C)O[C@@H](CNS(C)(=O)=O)COC(=O)CC1CCNCC1
InChIInChI=1S/C14H28N2O5S/c1-11(2)21-13(9-16-22(3,18)19)10-20-14(17)8-12-4-6-15-7-5-12/h11-13,15-16H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyKKOIHJUTQYHWLB-ZDUSSCGKSA-N
XLogP0.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate
CID 70811775
4-methylpentyl 2-piperidin-4-ylacetate
CID 79608603
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
ethyl 2-(azocan-5-yl)acetate
CID 123423074
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
N-(2-methylpropoxy)-3-piperidin-4-ylpropanamide
CID 82722183
N-(3-azido-2-propan-2-yloxypropyl)methanesulfonamide
CID 121481121
piperidin-4-ylmethylsulfonyl 2-methylpropanoate
CID 175450832
3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
CID 102904206

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate?
The IUPAC name of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate (CID 118241736) is [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate.
What is the SMILES notation for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate?
The canonical SMILES for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate is CC(C)O[C@@H](CNS(C)(=O)=O)COC(=O)CC1CCNCC1.
What is the InChIKey of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate?
The InChIKey is KKOIHJUTQYHWLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O5S/c1-11(2)21-13(9-16-22(3,18)19)10-20-14(17)8-12-4-6-15-7-5-12/h11-13,15-16H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate?
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate has a molecular weight of 336.45 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate is sourced from PubChem (CID 118241736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).