N-methyl-1-(thian-4-yl)pent-4-en-2-amine

C11H21NS — CID 105108182

IUPACN-methyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=CCC(CC1CCSCC1)NC
InChIInChI=1S/C11H21NS/c1-3-4-11(12-2)9-10-5-7-13-8-6-10/h3,10-12H,1,4-9H2,2H3
InChIKeyHYJNCCLFFVJCEP-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-1-(thian-4-yl)pent-4-en-2-amine

N-methyl-1-(thian-4-yl)pent-4-en-2-amine (PubChem CID 105108182) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-1-(thian-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(thian-4-yl)pent-4-en-2-amine
PubChem CID105108182
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=CCC(CC1CCSCC1)NC
InChIInChI=1S/C11H21NS/c1-3-4-11(12-2)9-10-5-7-13-8-6-10/h3,10-12H,1,4-9H2,2H3
InChIKeyHYJNCCLFFVJCEP-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
CID 44447164
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
2,6-Dipentyl-2,3-bis(prop-2-enyl)thian-4-amine
CID 70522982
4-ethenyl-2-ethyl-N,8-dimethyl-9-methylsulfanyldodecan-1-amine
CID 123309984
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)piperidine
CID 145587761
(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
CID 146226420
4-Ethenyl-1-thia-8-azaspiro[4.5]decane
CID 156308721
1-[5-(Methylamino)cyclohex-2-en-1-yl]ethanethiol
CID 163527114
5-ethenylsulfanyl-N,4-dimethylhex-5-en-2-amine
CID 169139896
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
4-methyl-N-[2-[(1Z)-penta-1,4-dienyl]sulfanylethyl]hexan-2-amine
CID 174249079

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-4-yl)pent-4-en-2-amine?
The IUPAC name of N-methyl-1-(thian-4-yl)pent-4-en-2-amine (CID 105108182) is N-methyl-1-(thian-4-yl)pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(thian-4-yl)pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(thian-4-yl)pent-4-en-2-amine is C=CCC(CC1CCSCC1)NC.
What is the InChIKey of N-methyl-1-(thian-4-yl)pent-4-en-2-amine?
The InChIKey is HYJNCCLFFVJCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-4-11(12-2)9-10-5-7-13-8-6-10/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-methyl-1-(thian-4-yl)pent-4-en-2-amine?
N-methyl-1-(thian-4-yl)pent-4-en-2-amine has a molecular weight of 199.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 105108182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).