N-(2-adamantyl)-1,1-dioxothian-3-amine

C15H25NO2S — CID 63921811

IUPACN-(2-adamantyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)3-1-2-14(9-19)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2
InChIKeyTUFJQJCVVDIGLC-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.98
Rot. Bonds2

About N-(2-adamantyl)-1,1-dioxothian-3-amine

N-(2-adamantyl)-1,1-dioxothian-3-amine (PubChem CID 63921811) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-adamantyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1,1-dioxothian-3-amine
PubChem CID63921811
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2-adamantyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)3-1-2-14(9-19)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2
InChIKeyTUFJQJCVVDIGLC-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
CID 63924783
N-(1,1-dioxothian-3-yl)oxan-3-amine
CID 63923831
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(3-cyclopropylcyclohexyl)adamantan-2-amine
CID 64594858
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 63922551
2-[(1,1-dioxothian-3-yl)amino]cycloheptane-1-carbonitrile
CID 63923529

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(2-adamantyl)-1,1-dioxothian-3-amine (CID 63921811) is N-(2-adamantyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(2-adamantyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(2-adamantyl)-1,1-dioxothian-3-amine is O=S1(=O)CCCC(NC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of N-(2-adamantyl)-1,1-dioxothian-3-amine?
The InChIKey is TUFJQJCVVDIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-19(18)3-1-2-14(9-19)16-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-16H,1-9H2.
What are the key properties of N-(2-adamantyl)-1,1-dioxothian-3-amine?
N-(2-adamantyl)-1,1-dioxothian-3-amine has a molecular weight of 283.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).