3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C10H18N4O4S2 — CID 103359254

IUPAC3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC1COCCO1
InChIInChI=1S/C10H18N4O4S2/c1-14(2)20(15,16)8-9(11)13-19-10(8)12-5-7-6-17-3-4-18-7/h7,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyCFYDPLDNOLLROW-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.20
Rot. Bonds5

About 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103359254) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103359254
Molecular FormulaC10H18N4O4S2
Molecular Weight322.41 g/mol
Exact Mass322.08
IUPAC Name3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC1COCCO1
InChIInChI=1S/C10H18N4O4S2/c1-14(2)20(15,16)8-9(11)13-19-10(8)12-5-7-6-17-3-4-18-7/h7,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyCFYDPLDNOLLROW-UHFFFAOYSA-N
XLogP-0.20
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103359254) is 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCC1COCCO1.
What is the InChIKey of 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is CFYDPLDNOLLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c1-14(2)20(15,16)8-9(11)13-19-10(8)12-5-7-6-17-3-4-18-7/h7,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).