benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate

C15H23NO5S — CID 67507979

IUPACbenzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCS(=O)(=O)CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO5S/c1-15(2,8-10-22(19,20)11-9-17)16-14(18)21-12-13-6-4-3-5-7-13/h3-7,17H,8-12H2,1-2H3,(H,16,18)
InChIKeyJTUZWOHULASJID-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.49
Rot. Bonds8

About benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate

benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate (PubChem CID 67507979) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
PubChem CID67507979
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Namebenzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCS(=O)(=O)CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO5S/c1-15(2,8-10-22(19,20)11-9-17)16-14(18)21-12-13-6-4-3-5-7-13/h3-7,17H,8-12H2,1-2H3,(H,16,18)
InChIKeyJTUZWOHULASJID-UHFFFAOYSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfonyl]-2-methylbutan-2-yl]carbamate
CID 67509059
benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
S-[3-methyl-3-(phenylmethoxycarbonylamino)butyl] ethanethioate
CID 86665510
benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
CID 57386791
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-[1-amino-2-methyl-4-(trimethyl-λ4-sulfanyl)butan-2-yl]carbamate
CID 126611804
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
CID 67310517
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
(3S)-3-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 146168448

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate (CID 67507979) is benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate is CC(C)(CCS(=O)(=O)CCO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate?
The InChIKey is JTUZWOHULASJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-15(2,8-10-22(19,20)11-9-17)16-14(18)21-12-13-6-4-3-5-7-13/h3-7,17H,8-12H2,1-2H3,(H,16,18).
What are the key properties of benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate?
benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 67507979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).