(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide

C14H24N2O3S2 — CID 124856052

IUPAC(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCc1ccsc1CN(C(C)C)S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H24N2O3S2/c1-11(2)16(9-14-12(3)5-8-20-14)21(17,18)15-6-7-19-10-13(15)4/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyDPSCESRNQRKWCE-CYBMUJFWSA-N
MW332.49 g/mol
LogP2.23
Rot. Bonds5

About (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide

(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide (PubChem CID 124856052) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide
PubChem CID124856052
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCc1ccsc1CN(C(C)C)S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H24N2O3S2/c1-11(2)16(9-14-12(3)5-8-20-14)21(17,18)15-6-7-19-10-13(15)4/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyDPSCESRNQRKWCE-CYBMUJFWSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide (CID 124856052) is (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide is Cc1ccsc1CN(C(C)C)S(=O)(=O)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide?
The InChIKey is DPSCESRNQRKWCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11(2)16(9-14-12(3)5-8-20-14)21(17,18)15-6-7-19-10-13(15)4/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide?
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-propan-2-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 124856052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).