N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide

C14H29NO2S — CID 70799422

IUPACN-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide
SMILESCC(C)(C)[C@@H]1C[C@@H]1CCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S/c1-13(2,3)12-10-11(12)8-9-15(14(4,5)6)18(7,16)17/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyYPBSKITYFXHLEL-NWDGAFQWSA-N
MW275.46 g/mol
LogP3.12
Rot. Bonds4

About N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide

N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide (PubChem CID 70799422) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide
PubChem CID70799422
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide
SMILESCC(C)(C)[C@@H]1C[C@@H]1CCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S/c1-13(2,3)12-10-11(12)8-9-15(14(4,5)6)18(7,16)17/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyYPBSKITYFXHLEL-NWDGAFQWSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide (CID 70799422) is N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide is CC(C)(C)[C@@H]1C[C@@H]1CCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide?
The InChIKey is YPBSKITYFXHLEL-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-13(2,3)12-10-11(12)8-9-15(14(4,5)6)18(7,16)17/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide?
N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(1R,2R)-2-tert-butylcyclopropyl]ethyl]methanesulfonamide is sourced from PubChem (CID 70799422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).