N-(3-methylbut-2-enyl)thian-4-amine

C10H19NS — CID 103522690

IUPACN-(3-methylbut-2-enyl)thian-4-amine
SMILESCC(C)=CCNC1CCSCC1
InChIInChI=1S/C10H19NS/c1-9(2)3-6-11-10-4-7-12-8-5-10/h3,10-11H,4-8H2,1-2H3
InChIKeyKSGQSRSROKMONK-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds3

About N-(3-methylbut-2-enyl)thian-4-amine

N-(3-methylbut-2-enyl)thian-4-amine (PubChem CID 103522690) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)thian-4-amine
PubChem CID103522690
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(3-methylbut-2-enyl)thian-4-amine
SMILESCC(C)=CCNC1CCSCC1
InChIInChI=1S/C10H19NS/c1-9(2)3-6-11-10-4-7-12-8-5-10/h3,10-11H,4-8H2,1-2H3
InChIKeyKSGQSRSROKMONK-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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

N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
CID 107899807
N-(3-methylbut-2-enyl)oxetan-3-amine
CID 107900082
N-(3-methylbut-2-enyl)cyclopent-3-en-1-amine
CID 106547301
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
2-(thian-4-ylamino)acetic acid
CID 43511382
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748
N-(2-cyclopropylpropyl)thian-4-amine
CID 115592688
3-ethynyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 130609598
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008
1-methyl-5-(3-methylbut-2-enylamino)piperidin-2-one
CID 106547211

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)thian-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)thian-4-amine (CID 103522690) is N-(3-methylbut-2-enyl)thian-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)thian-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)thian-4-amine is CC(C)=CCNC1CCSCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)thian-4-amine?
The InChIKey is KSGQSRSROKMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)3-6-11-10-4-7-12-8-5-10/h3,10-11H,4-8H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)thian-4-amine?
N-(3-methylbut-2-enyl)thian-4-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)thian-4-amine is sourced from PubChem (CID 103522690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).