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

C16H30ClN3O4S — CID 154899598

IUPACN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O4S.ClH/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;1H/t15-,16+;/m1./s1
InChIKeySYJQEBPVLOUXAP-RCPFAERMSA-N
MW395.95 g/mol
LogP0.46
Rot. Bonds5

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

N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride (PubChem CID 154899598) has the molecular formula C16H30ClN3O4S and a molecular weight of 395.95 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride
PubChem CID154899598
Molecular FormulaC16H30ClN3O4S
Molecular Weight395.95 g/mol
Exact Mass395.16
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O4S.ClH/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;1H/t15-,16+;/m1./s1
InChIKeySYJQEBPVLOUXAP-RCPFAERMSA-N
XLogP0.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.95
LogP ≤ 50.46
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;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride (CID 154899598) is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is SYJQEBPVLOUXAP-RCPFAERMSA-N. The full InChI is InChI=1S/C16H29N3O4S.ClH/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;1H/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;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine-4-sulfonamide;hydrochloride has a molecular weight of 395.95 g/mol, XLogP of 0.46, 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;hydrochloride is sourced from PubChem (CID 154899598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).