N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide

C16H29N3O4S — CID 72922179

IUPACN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O4S/c20-24(21,19-5-9-23-10-6-19)17-16-12-18(11-15(16)13-1-2-13)14-3-7-22-8-4-14/h13-17H,1-12H2/t15-,16+/m1/s1
InChIKeySJWCVBSQYLXZRS-CVEARBPZSA-N
MW359.49 g/mol
LogP0.04
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide

N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide (PubChem CID 72922179) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
PubChem CID72922179
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O4S/c20-24(21,19-5-9-23-10-6-19)17-16-12-18(11-15(16)13-1-2-13)14-3-7-22-8-4-14/h13-17H,1-12H2/t15-,16+/m1/s1
InChIKeySJWCVBSQYLXZRS-CVEARBPZSA-N
XLogP0.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.04
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-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide (CID 72922179) is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide is O=S(=O)(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
The InChIKey is SJWCVBSQYLXZRS-CVEARBPZSA-N. The full InChI is InChI=1S/C16H29N3O4S/c20-24(21,19-5-9-23-10-6-19)17-16-12-18(11-15(16)13-1-2-13)14-3-7-22-8-4-14/h13-17H,1-12H2/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide?
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide has a molecular weight of 359.49 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 72922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).