N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide

C15H24N2O3S — CID 174625529

IUPACN-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide
SMILESCC(C)CN1CCOC[C@@H]1c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)10-17-7-8-20-11-15(17)13-5-4-6-14(9-13)16-21(3,18)19/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3/t15-/m1/s1
InChIKeyIKVYVKUSLQTTSM-OAHLLOKOSA-N
MW312.44 g/mol
LogP2.09
Rot. Bonds5

About N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide

N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide (PubChem CID 174625529) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide
PubChem CID174625529
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide
SMILESCC(C)CN1CCOC[C@@H]1c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)10-17-7-8-20-11-15(17)13-5-4-6-14(9-13)16-21(3,18)19/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3/t15-/m1/s1
InChIKeyIKVYVKUSLQTTSM-OAHLLOKOSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide (CID 174625529) is N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide is CC(C)CN1CCOC[C@@H]1c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide?
The InChIKey is IKVYVKUSLQTTSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)10-17-7-8-20-11-15(17)13-5-4-6-14(9-13)16-21(3,18)19/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide?
N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-4-(2-methylpropyl)morpholin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 174625529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).