2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide

C8H19N3O3S — CID 174111371

IUPAC2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide
SMILESCC(C)NCC1CN(S(N)(=O)=O)CCO1
InChIInChI=1S/C8H19N3O3S/c1-7(2)10-5-8-6-11(3-4-14-8)15(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyNBTSNEDTZCLVEF-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide

2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide (PubChem CID 174111371) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide
PubChem CID174111371
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide
SMILESCC(C)NCC1CN(S(N)(=O)=O)CCO1
InChIInChI=1S/C8H19N3O3S/c1-7(2)10-5-8-6-11(3-4-14-8)15(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13)
InChIKeyNBTSNEDTZCLVEF-UHFFFAOYSA-N
XLogP-1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide?
The IUPAC name of 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide (CID 174111371) is 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide?
The canonical SMILES for 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide is CC(C)NCC1CN(S(N)(=O)=O)CCO1.
What is the InChIKey of 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide?
The InChIKey is NBTSNEDTZCLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(2)10-5-8-6-11(3-4-14-8)15(9,12)13/h7-8,10H,3-6H2,1-2H3,(H2,9,12,13).
What are the key properties of 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide?
2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propan-2-ylamino)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 174111371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).