1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride

C9H18ClNO3S — CID 2980201

IUPAC1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(NCC2CCCO2)C1
InChIInChI=1S/C9H17NO3S.ClH/c11-14(12)5-3-8(7-14)10-6-9-2-1-4-13-9;/h8-10H,1-7H2;1H
InChIKeyHOMVDAVYCAXHAZ-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.36
Rot. Bonds3

About 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride

1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride (PubChem CID 2980201) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
PubChem CID2980201
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(NCC2CCCO2)C1
InChIInChI=1S/C9H17NO3S.ClH/c11-14(12)5-3-8(7-14)10-6-9-2-1-4-13-9;/h8-10H,1-7H2;1H
InChIKeyHOMVDAVYCAXHAZ-UHFFFAOYSA-N
XLogP0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine
CID 62571099
1,1-dioxo-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 63922435
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79165323
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
1,1-dioxo-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
CID 60836572
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
4-N-(1,1-dioxothiolan-3-yl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886873
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365708
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
2-[[[(1,1-dioxothiolan-3-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111893738

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride (CID 2980201) is 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride is Cl.O=S1(=O)CCC(NCC2CCCO2)C1.
What is the InChIKey of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride?
The InChIKey is HOMVDAVYCAXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S.ClH/c11-14(12)5-3-8(7-14)10-6-9-2-1-4-13-9;/h8-10H,1-7H2;1H.
What are the key properties of 1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride?
1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 0.36, 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-2-ylmethyl)thiolan-3-amine;hydrochloride is sourced from PubChem (CID 2980201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).