(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine

C8H17NO2S — CID 84772128

IUPAC(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine
SMILESCC(C)C1(CN)CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8(6-9)4-3-5-12(8,10)11/h7H,3-6,9H2,1-2H3
InChIKeyKUTWBHFLQPQKBW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine

(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine (PubChem CID 84772128) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine
PubChem CID84772128
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine
SMILESCC(C)C1(CN)CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-7(2)8(6-9)4-3-5-12(8,10)11/h7H,3-6,9H2,1-2H3
InChIKeyKUTWBHFLQPQKBW-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
CID 115018801
1,1-dioxo-2-propan-2-ylthiane-2-carboxylic acid
CID 84787507
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine
CID 105463188
1-[1-(aminomethyl)cyclopentyl]propan-2-ol
CID 130514677
2-amino-1,1-dioxothiolan-2-ol
CID 160841811
3-(aminomethyl)-N-(2-methylpropyl)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 63922258
4-(aminomethyl)-N-but-3-yn-2-yl-1,1-dioxothian-4-amine
CID 114416146
(3-ethoxy-1,1-dioxothian-3-yl)methanamine
CID 66071537
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
1-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 79836992
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,1-dioxothian-3-amine
CID 63922458

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine?
The IUPAC name of (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine (CID 84772128) is (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine.
What is the SMILES notation for (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine?
The canonical SMILES for (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine is CC(C)C1(CN)CCCS1(=O)=O.
What is the InChIKey of (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine?
The InChIKey is KUTWBHFLQPQKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)8(6-9)4-3-5-12(8,10)11/h7H,3-6,9H2,1-2H3.
What are the key properties of (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine?
(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine is sourced from PubChem (CID 84772128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).