N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H24N2S2 — CID 113359779

IUPACN-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCCS1)SC2
InChIInChI=1S/C14H24N2S2/c1-2-6-14(7-3-1)10-16-13(18-11-14)15-9-12-5-4-8-17-12/h12H,1-11H2,(H,15,16)
InChIKeyLJUDUTHKJHWSDT-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.52
Rot. Bonds2

About N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 113359779) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID113359779
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCCS1)SC2
InChIInChI=1S/C14H24N2S2/c1-2-6-14(7-3-1)10-16-13(18-11-14)15-9-12-5-4-8-17-12/h12H,1-11H2,(H,15,16)
InChIKeyLJUDUTHKJHWSDT-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 113294275
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
CID 113294183
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361544
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967670
N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
CID 113359783
N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361550
5-methyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 80612269
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
CID 103967892

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 113359779) is N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCC1CCCS1)SC2.
What is the InChIKey of N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is LJUDUTHKJHWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-2-6-14(7-3-1)10-16-13(18-11-14)15-9-12-5-4-8-17-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 284.49 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 113359779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).