N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine

C10H19NO2S — CID 170117809

IUPACN-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine
SMILESC=C(NC1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C10H19NO2S/c1-8(2)9(3)11-10-4-6-14(12,13)7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyIFDOHSBWKVLDMT-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.32
Rot. Bonds3

About N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine

N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine (PubChem CID 170117809) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine
PubChem CID170117809
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine
SMILESC=C(NC1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C10H19NO2S/c1-8(2)9(3)11-10-4-6-14(12,13)7-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyIFDOHSBWKVLDMT-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-enyl-1,1-dioxothian-4-amine
CID 64316715
N-(3-methylbut-1-en-2-yl)-1,1-dioxothiolan-3-amine
CID 170117431
N-butyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-amine
CID 15701075
5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
CID 45096664
N-(2-methylprop-2-enyl)-1,1-dioxothian-4-amine
CID 62331329
N-(2-methylprop-2-enyl)-1,1-dioxothian-3-amine
CID 63923940
N-but-3-enyl-1,1-dioxothian-3-amine
CID 64314906
N-(2-methylidenebutyl)-1,1-dioxothian-4-amine
CID 66044497
N-(2-methylidenebutyl)-1,1-dioxothian-3-amine
CID 66046181
N-hex-5-en-2-yl-1,1-dioxothian-3-amine
CID 104583221
N-[(1,1-dioxothian-4-yl)methyl]hex-5-en-2-amine
CID 104583588
N-hex-5-en-2-yl-1,1-dioxothian-4-amine
CID 104655410

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine (CID 170117809) is N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine is C=C(NC1CCS(=O)(=O)CC1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine?
The InChIKey is IFDOHSBWKVLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)9(3)11-10-4-6-14(12,13)7-5-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine?
N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine has a molecular weight of 217.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 170117809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).