N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide

C8H17NO3S — CID 167273814

IUPACN-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1(O)CC1
InChIInChI=1S/C8H17NO3S/c1-7(2,3)9-13(11,12)6-8(10)4-5-8/h9-10H,4-6H2,1-3H3
InChIKeyVTCLQHLMIGQTMH-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.23
Rot. Bonds3

About N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide

N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide (PubChem CID 167273814) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide
PubChem CID167273814
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1(O)CC1
InChIInChI=1S/C8H17NO3S/c1-7(2,3)9-13(11,12)6-8(10)4-5-8/h9-10H,4-6H2,1-3H3
InChIKeyVTCLQHLMIGQTMH-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide (CID 167273814) is N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide is CC(C)(C)NS(=O)(=O)CC1(O)CC1.
What is the InChIKey of N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide?
The InChIKey is VTCLQHLMIGQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2,3)9-13(11,12)6-8(10)4-5-8/h9-10H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide?
N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-hydroxycyclopropyl)methanesulfonamide is sourced from PubChem (CID 167273814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).