1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine

C10H19NO3S — CID 43615101

IUPAC1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCC2CCOC2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)5-2-10(3-6-15)11-7-9-1-4-14-8-9/h9-11H,1-8H2
InChIKeyCQFCLTBPFCWBPN-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.19
Rot. Bonds3

About 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine

1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine (PubChem CID 43615101) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine
PubChem CID43615101
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCC2CCOC2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)5-2-10(3-6-15)11-7-9-1-4-14-8-9/h9-11H,1-8H2
InChIKeyCQFCLTBPFCWBPN-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
CID 43191002
N-(3-ethoxypropyl)-1,1-dioxothian-4-amine
CID 43511558
N-[3-(2-methylpropoxy)propyl]-1,1-dioxothian-4-amine
CID 43511660
N-[3-(cyclopropylmethoxy)propyl]-1,1-dioxothian-4-amine
CID 43511680
(1,1-dioxidotetrahydro-3-thienyl)tetrahydro-2H-pyran-4-ylamine formate
CID 43608329
N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
CID 43679724
3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
CID 43679914
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 54915641
N-[(1,1-dioxothiolan-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 55066605
N-[3-(cyclopropylmethoxy)propyl]-1,1-dioxothiolan-3-amine
CID 60708649
N-[3-(2-methylpropoxy)propyl]-1,1-dioxothiolan-3-amine
CID 60708707
N-(oxolan-3-ylmethyl)thian-4-amine
CID 60919433

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine (CID 43615101) is 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine is O=S1(=O)CCC(NCC2CCOC2)CC1.
What is the InChIKey of 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine?
The InChIKey is CQFCLTBPFCWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13)5-2-10(3-6-15)11-7-9-1-4-14-8-9/h9-11H,1-8H2.
What are the key properties of 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine?
1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine has a molecular weight of 233.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(oxolan-3-ylmethyl)thian-4-amine is sourced from PubChem (CID 43615101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).