[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate

C14H28N2O6S — CID 70811775

IUPAC[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate
SMILESCC[C@H](C)O[C@@H](CNS(C)(=O)=O)COC(=O)OC1CCNCC1
InChIInChI=1S/C14H28N2O6S/c1-4-11(2)21-13(9-16-23(3,18)19)10-20-14(17)22-12-5-7-15-8-6-12/h11-13,15-16H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyPQUVCJXKECQTAA-AAEUAGOBSA-N
MW352.45 g/mol
LogP0.62
Rot. Bonds9

About [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate

[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate (PubChem CID 70811775) has the molecular formula C14H28N2O6S and a molecular weight of 352.45 g/mol. Its IUPAC name is [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate.

Molecular Properties

Compound Name[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate
PubChem CID70811775
Molecular FormulaC14H28N2O6S
Molecular Weight352.45 g/mol
Exact Mass352.17
IUPAC Name[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate
SMILESCC[C@H](C)O[C@@H](CNS(C)(=O)=O)COC(=O)OC1CCNCC1
InChIInChI=1S/C14H28N2O6S/c1-4-11(2)21-13(9-16-23(3,18)19)10-20-14(17)22-12-5-7-15-8-6-12/h11-13,15-16H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyPQUVCJXKECQTAA-AAEUAGOBSA-N
XLogP0.62
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] 2-piperidin-4-ylacetate
CID 118241736
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] piperidin-4-yl carbonate
CID 70799860
dipiperidin-4-yl carbonate
CID 129132812
piperidin-4-yl 2-methylbutanoate
CID 18987401
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
CID 121481056
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
4-butan-2-yloxypiperidine
CID 43346315
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
CID 173188799
piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 130348715
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] piperidin-4-ylmethyl carbonate;hydrochloride
CID 162309402
2-pyrrolidin-3-yloxypropanamide
CID 62327738

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate?
The IUPAC name of [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate (CID 70811775) is [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate.
What is the SMILES notation for [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate?
The canonical SMILES for [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate is CC[C@H](C)O[C@@H](CNS(C)(=O)=O)COC(=O)OC1CCNCC1.
What is the InChIKey of [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate?
The InChIKey is PQUVCJXKECQTAA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H28N2O6S/c1-4-11(2)21-13(9-16-23(3,18)19)10-20-14(17)22-12-5-7-15-8-6-12/h11-13,15-16H,4-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate?
[(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate has a molecular weight of 352.45 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-butan-2-yl]oxy-3-(methanesulfonamido)propyl] piperidin-4-yl carbonate is sourced from PubChem (CID 70811775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).