N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide

C11H24N2O4S2 — CID 131900362

IUPACN-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-6-19(16,17)12-9-10(2)13-11-4-7-18(14,15)8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyVIRIHMDNYUBCEV-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.13
Rot. Bonds7

About N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide

N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide (PubChem CID 131900362) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
PubChem CID131900362
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-6-19(16,17)12-9-10(2)13-11-4-7-18(14,15)8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyVIRIHMDNYUBCEV-UHFFFAOYSA-N
XLogP-0.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)ethanesulfonamide
CID 64586482
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
N-heptan-4-yl-1,1-dioxothian-4-amine
CID 43615035
N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
CID 131925200
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
1-bromo-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 83084232
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
N-[4-[(1,1-dioxothian-4-yl)amino]-2-methylpentan-2-yl]acetamide
CID 131913138
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide (CID 131900362) is N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide?
The InChIKey is VIRIHMDNYUBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-6-19(16,17)12-9-10(2)13-11-4-7-18(14,15)8-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide?
N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide is sourced from PubChem (CID 131900362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).