N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine

C10H19NO2S — CID 169447952

IUPACN-but-2-enyl-N-methyl-1,1-dioxothian-4-amine
SMILESCC=CCN(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3-4,10H,5-9H2,1-2H3
InChIKeyJYPGNXAVCIJFQC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds3

About N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine

N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine (PubChem CID 169447952) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-but-2-enyl-N-methyl-1,1-dioxothian-4-amine
PubChem CID169447952
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-but-2-enyl-N-methyl-1,1-dioxothian-4-amine
SMILESCC=CCN(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3-4,10H,5-9H2,1-2H3
InChIKeyJYPGNXAVCIJFQC-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-buta-1,2-dienyl-N-methyl-1,1-dioxothian-4-amine
CID 169491020
3,3,5,5-Tetramethyl-4-prop-2-enyl-1,4-thiazinane 1,1-dioxide
CID 21394501
(3S)-N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 52146666
4-Methyl-4-prop-2-enyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 59019154
4-But-3-en-2-yl-3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
CID 70636264
(3S)-1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
CID 70659127
1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
CID 70660669
N-methyl-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 75791858
Methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
CID 91494220
4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 131247911
N-[(2R)-but-3-en-2-yl]-N-methyl-4-methylsulfanyl-1,1-dioxothian-4-amine
CID 134269864
4-[(3E)-hexa-1,3,5-trien-3-yl]sulfonyl-1-methylpiperidine
CID 143873071

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine (CID 169447952) is N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine is CC=CCN(C)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is JYPGNXAVCIJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3-4,10H,5-9H2,1-2H3.
What are the key properties of N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine?
N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 217.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 169447952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).