tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate

C8H16ClNO4S — CID 130666310

IUPACtert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
SMILESC[C@H](CS(=O)(=O)Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16ClNO4S/c1-6(5-15(9,12)13)10-7(11)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyCZNOXBWDIJWTQO-ZCFIWIBFSA-N
MW257.74 g/mol
LogP1.47
Rot. Bonds3

About tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate

tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate (PubChem CID 130666310) has the molecular formula C8H16ClNO4S and a molecular weight of 257.74 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
PubChem CID130666310
Molecular FormulaC8H16ClNO4S
Molecular Weight257.74 g/mol
Exact Mass257.05
IUPAC Nametert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
SMILESC[C@H](CS(=O)(=O)Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16ClNO4S/c1-6(5-15(9,12)13)10-7(11)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyCZNOXBWDIJWTQO-ZCFIWIBFSA-N
XLogP1.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate (CID 130666310) is tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate is C[C@H](CS(=O)(=O)Cl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
The InChIKey is CZNOXBWDIJWTQO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16ClNO4S/c1-6(5-15(9,12)13)10-7(11)14-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate has a molecular weight of 257.74 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate is sourced from PubChem (CID 130666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).