N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide

C12H22N2O4S — CID 125423678

IUPACN-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)CC1CN(C(=O)[C@@H]2C[C@@H]2C)C1
InChIInChI=1S/C12H22N2O4S/c1-8-3-11(8)12(16)14-5-10(6-14)7-19(17,18)13-4-9(2)15/h8-11,13,15H,3-7H2,1-2H3/t8-,9-,11+/m0/s1
InChIKeyVTXRBPOLNGDPHU-ATZCPNFKSA-N
MW290.38 g/mol
LogP-0.60
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide

N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide (PubChem CID 125423678) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide
PubChem CID125423678
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)CC1CN(C(=O)[C@@H]2C[C@@H]2C)C1
InChIInChI=1S/C12H22N2O4S/c1-8-3-11(8)12(16)14-5-10(6-14)7-19(17,18)13-4-9(2)15/h8-11,13,15H,3-7H2,1-2H3/t8-,9-,11+/m0/s1
InChIKeyVTXRBPOLNGDPHU-ATZCPNFKSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide (CID 125423678) is N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide is C[C@H](O)CNS(=O)(=O)CC1CN(C(=O)[C@@H]2C[C@@H]2C)C1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide?
The InChIKey is VTXRBPOLNGDPHU-ATZCPNFKSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-8-3-11(8)12(16)14-5-10(6-14)7-19(17,18)13-4-9(2)15/h8-11,13,15H,3-7H2,1-2H3/t8-,9-,11+/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide?
N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide has a molecular weight of 290.38 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125423678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).