1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide

C9H20N2O4S — CID 104759974

IUPAC1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CN)CCOC1
InChIInChI=1S/C9H20N2O4S/c1-8(5-10)16(12,13)11-6-9(14-2)3-4-15-7-9/h8,11H,3-7,10H2,1-2H3
InChIKeyUJTQDZNEWWEOQK-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.94
Rot. Bonds6

About 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide

1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide (PubChem CID 104759974) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
PubChem CID104759974
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CN)CCOC1
InChIInChI=1S/C9H20N2O4S/c1-8(5-10)16(12,13)11-6-9(14-2)3-4-15-7-9/h8,11H,3-7,10H2,1-2H3
InChIKeyUJTQDZNEWWEOQK-UHFFFAOYSA-N
XLogP-0.94
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 106080460
1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide
CID 104759966
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104758582
1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide
CID 106001112
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide (CID 104759974) is 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide is COC1(CNS(=O)(=O)C(C)CN)CCOC1.
What is the InChIKey of 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is UJTQDZNEWWEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(5-10)16(12,13)11-6-9(14-2)3-4-15-7-9/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 104759974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).