N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide

C13H24N2O5S — CID 91835763

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)N1CCOCC1
InChIInChI=1S/C13H24N2O5S/c16-21(17,15-4-7-18-8-5-15)14-12-10-19-6-3-13(12)20-9-11-1-2-11/h11-14H,1-10H2/t12-,13+/m1/s1
InChIKeyHTUKJGOIUNNIJE-OLZOCXBDSA-N
MW320.41 g/mol
LogP-0.26
Rot. Bonds6

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide (PubChem CID 91835763) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide
PubChem CID91835763
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)N1CCOCC1
InChIInChI=1S/C13H24N2O5S/c16-21(17,15-4-7-18-8-5-15)14-12-10-19-6-3-13(12)20-9-11-1-2-11/h11-14H,1-10H2/t12-,13+/m1/s1
InChIKeyHTUKJGOIUNNIJE-OLZOCXBDSA-N
XLogP-0.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide (CID 91835763) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide is O=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)N1CCOCC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide?
The InChIKey is HTUKJGOIUNNIJE-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24N2O5S/c16-21(17,15-4-7-18-8-5-15)14-12-10-19-6-3-13(12)20-9-11-1-2-11/h11-14H,1-10H2/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 91835763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).