N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide

C10H15NO4S — CID 97106305

IUPACN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccoc1)C1CC1
InChIInChI=1S/C10H15NO4S/c12-10(8-4-6-15-7-8)3-5-11-16(13,14)9-1-2-9/h4,6-7,9-12H,1-3,5H2/t10-/m0/s1
InChIKeyPOCUXQMFLCNTHX-JTQLQIEISA-N
MW245.30 g/mol
LogP0.78
Rot. Bonds6

About N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide

N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide (PubChem CID 97106305) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide
PubChem CID97106305
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccoc1)C1CC1
InChIInChI=1S/C10H15NO4S/c12-10(8-4-6-15-7-8)3-5-11-16(13,14)9-1-2-9/h4,6-7,9-12H,1-3,5H2/t10-/m0/s1
InChIKeyPOCUXQMFLCNTHX-JTQLQIEISA-N
XLogP0.78
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide (CID 97106305) is N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide is O=S(=O)(NCC[C@H](O)c1ccoc1)C1CC1.
What is the InChIKey of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide?
The InChIKey is POCUXQMFLCNTHX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO4S/c12-10(8-4-6-15-7-8)3-5-11-16(13,14)9-1-2-9/h4,6-7,9-12H,1-3,5H2/t10-/m0/s1.
What are the key properties of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide?
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclopropanesulfonamide is sourced from PubChem (CID 97106305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).